supporting information


Acta Cryst. (2013). E69, m137-m138    [ doi:10.1107/S1600536813003152 ]

Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethyl­idene]thio­semicabazidato-[kappa]S}bis­(triphenyl­phosphane-[kappa]P)silver(I)

R. Venkatraman, K. D. Ruddock, H. S. Das, M. A. Hossain and F. R. Fronczek

Abstract top

The title compound, [Ag(C9H13N5S)Cl(C18H15P)2], crystallizes with four independent mol­ecules in the asymmetric unit, in each of which the Ag atom is in a distorted tetra­hedral coordination, defined by the chloride ligand, the S atom of the neutral ligand and two P atoms derived from the triphenyl phosphine ligands. The thio­semicarbazone acts as a monodentate ligand through its thione S atom. An intra­molecular N-H...Cl hydrogen bond occurs in two of the independent mol­ecules. In the crystal, the mol­ecules are assembled through N-H...Cl hydrogen bonds, forming chains along [101].

Comment top

Thiosemicarbazones are versatile ligands for several metals due to the keto–enol tautomeric form exhibited by the molecules (Ali & Livingstone, 1974; Campbell, 1975; Pellerito & Negy, 2002; Raper, 1985; Casas et al., 2000; Blanz & French, 1968; Grecu & Neamtu, 1967; Lobana et al., 1998; Bermejo et al., 2003; Akinchan et al., 2002; Zhou et al. 2008; Huheey et al., 1993). Among the metals that complex with thiosemicarbazones, Ag(I), and Cu(I) are known to interact with thiosemicarbazones differently and the resulting compounds exhibit variable structural features depending on the conditions of their preparation. Recently, the influence of substituents at the C2 carbon of thiosemicarbazones on bonding and nuclearity of silver complexes were investigated (Lobana et al., 2008). Among the ligands that ligate with Ag(I) with pyrazine thiosemicarbazone received less attention.

In continuation of our study on metal complexes with thiosemicarbazones, we report herein a silver complex (Scheme 1) formed by the reaction of 2–acetylpyrazine N(4)–ethyl–3–thiosemicarbazone with AgCl in presence of triphenylphosphine as a coligand. The compound crystallizes with four independent molecules in asymmetric unit (Fig. 1). The Ag—S bond distances vary from 2.6816 (8)Å to 2.7412 (9)Å with a mean value of 2.7067 (9)Å. The Ag—S bond distance is smaller than the sum of ionic radii of Ag and S ions (2.78Å). On the other hand, the distances of Ag—P are in the range of 2.4784 (8)Å to 2.4877 (8)Å with a mean value of 2.4835 (8)Å which are smaller than that observed for Ag—S bonds. The average bond distance of Ag—P is comparable to the mononuclear silver complex of thiosemicarbazone (2.4409 (7)Å and 2.4879 (7)Å) reported by Lobana et al. (2008). In the asymmetric unit the four Ag—Cl bonds distances are almost similar (2.5900 (8)Å to 2.5932 (8)Å) with a mean value of 2.5921 (8)Å which is shorter than the sum of the ionic radii of silver and chloride (2.75Å). The C—S bond distances in all four units is identical to 1.704 (3)Å which is much longer than the literature value (1.6796 (9)Å) for the free ligand reported by Venkatraman et al. (2009). As shown in the Fig. 2, the molecules are linked with intra– and inter–molecular N—H···Cl hydrogen bonding interactions (Hossain et al., 2002).

Related literature top

For general background to thiosemicarbazones, see: Akinchan et al. (2002); Ali & Livingstone (1974); Bermejo et al. (2003); Blanz & French (1968); Campbell (1975); Casas et al. (2000); Grecu & Neamtu (1967); Hossain et al. (2002); Huheey et al. (1993); Lobana et al. (1998, 2008); Pellerito & Negy (2002); Raper (1985); Venkatraman et al. (2009); Zhou et al. (2008).

Experimental top

To a freshly prepared AgCl (0.143 g, 1 mmol) suspended in acetonitrile (20 ml) and was mixed with an acetonitrile solution of 2–acetylpyrazine N(4)–ethyl–3–thiosemicarbazone (0.223 g, 1 mmol,) (Venkatraman et al., 2009) and the resulting mixture was stirred overnight. To the white solid formed in acetonitrile, solid triphenylphosphine (0.530 g, 2 mmol) was added in two equal aliquots to obtain a clear solution. The solution was filtered and left for crystallization at room temperature.

Refinement top

H atom of NH group was located in difference syntheses and refined isotropically with Uiso(H) = 1.2Ueq(N). The remaining H atoms were positioned geometrically with C—H = 0.95Å, 0.99Å and 0.98Å for aromatic, methylene and methyl H atoms, respectively, and constrained to ride on their parent atoms with Uiso(H) = xUeq(C), where x = 1.5 for methyl H, and x = 1.2 for all other H atoms.

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXH (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: SHELXH (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius. Only base atoms are labeled for clarity.
[Figure 2] Fig. 2. Intra– and inter–molecular hydrogen bonding in the crystal structure of title compound viewed along a axis.
Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κS}bis(triphenylphosphane-κP)silver(I) top
Crystal data top
[Ag(C9H13N5S)Cl(C18H15P)2]F(000) = 3664
Mr = 891.17Dx = 1.421 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 28230 reflections
a = 12.0640 (5) Åθ = 2.5–32.5°
b = 31.810 (2) ŵ = 0.71 mm1
c = 21.9207 (15) ÅT = 90 K
β = 98.029 (5)°Block, colourless
V = 8329.7 (9) Å30.27 × 0.22 × 0.20 mm
Z = 8
Data collection top
Nonius KappaCCD
diffractometer with Oxford Cryostream system
54942 independent reflections
Radiation source: fine–focus sealed tube44399 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.055
ω– and ϕ–scansθmax = 32.6°, θmin = 2.5°
Absorption correction: multi-scan
(DENZO and SCALEPACK; Otwinowski & Minor, 1997)
h = 1818
Tmin = 0.831, Tmax = 0.870k = 4648
138032 measured reflectionsl = 3232
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103 w = 1/[σ2(Fo2) + (0.0471P)2 + 3.4676P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.002
54942 reflectionsΔρmax = 1.03 e Å3
2007 parametersΔρmin = 0.85 e Å3
9 restraintsAbsolute structure: Flack (1983), 25,519 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.382 (11)
Crystal data top
[Ag(C9H13N5S)Cl(C18H15P)2]V = 8329.7 (9) Å3
Mr = 891.17Z = 8
Monoclinic, P21Mo Kα radiation
a = 12.0640 (5) ŵ = 0.71 mm1
b = 31.810 (2) ÅT = 90 K
c = 21.9207 (15) Å0.27 × 0.22 × 0.20 mm
β = 98.029 (5)°
Data collection top
Nonius KappaCCD
diffractometer with Oxford Cryostream system
54942 independent reflections
Absorption correction: multi-scan
(DENZO and SCALEPACK; Otwinowski & Minor, 1997)
44399 reflections with I > 2σ(I)
Tmin = 0.831, Tmax = 0.870Rint = 0.055
138032 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.042H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103Δρmax = 1.03 e Å3
S = 1.03Δρmin = 0.85 e Å3
54942 reflectionsAbsolute structure: Flack (1983), 25,519 Friedel pairs
2007 parametersAbsolute structure parameter: 0.382 (11)
9 restraints
Special details top

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R–factor wR and goodness of fit S are based on F2, conventional R–factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R–factors(gt) etc. and is not relevant to the choice of reflections for refinement. R–factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.723632 (16)0.688036 (7)0.820344 (9)0.01593 (5)
Cl10.86926 (6)0.65407 (2)0.90391 (3)0.01736 (14)
N10.7674 (2)0.57932 (9)0.80150 (12)0.0178 (5)
H1N0.803 (3)0.6002 (8)0.8216 (14)0.021*
N20.8198 (2)0.55463 (9)0.76375 (13)0.0172 (5)
N30.5999 (2)0.56061 (9)0.74491 (12)0.0185 (5)
H3N0.639 (3)0.5417 (9)0.7287 (16)0.022*
N41.0907 (2)0.52049 (10)0.74080 (14)0.0232 (6)
N50.9582 (2)0.47812 (10)0.64508 (13)0.0217 (6)
P10.59953 (6)0.74435 (3)0.84917 (4)0.01490 (15)
P20.78028 (6)0.69445 (3)0.71589 (3)0.01796 (15)
S10.59041 (6)0.62016 (3)0.83052 (4)0.01636 (14)
C10.6544 (2)0.58431 (10)0.78917 (13)0.0147 (5)
C20.9254 (2)0.54798 (10)0.77890 (14)0.0161 (6)
C30.9931 (3)0.56410 (12)0.83686 (16)0.0219 (7)
H3A0.97730.59400.84170.033*
H3B1.07290.56030.83440.033*
H3C0.97320.54850.87230.033*
C40.9783 (2)0.52177 (10)0.73496 (15)0.0162 (6)
C51.1349 (3)0.49938 (12)0.69781 (17)0.0276 (8)
H51.21410.49820.70040.033*
C61.0700 (3)0.47899 (11)0.64920 (16)0.0237 (7)
H61.10560.46550.61850.028*
C70.9139 (3)0.49924 (11)0.68781 (15)0.0182 (6)
H70.83490.49910.68640.022*
C80.4778 (2)0.56112 (12)0.72850 (16)0.0244 (7)
H8A0.45810.54910.68670.029*
H8B0.45140.59060.72720.029*
C90.4185 (3)0.53695 (13)0.77261 (18)0.0375 (9)
H9A0.33750.53860.75970.056*
H9B0.43690.54890.81400.056*
H9C0.44220.50750.77310.056*
C100.6477 (2)0.79894 (10)0.85914 (13)0.0163 (6)
C110.7392 (2)0.81151 (9)0.83082 (13)0.0205 (6)
H110.77820.79160.80940.025*
C120.7730 (2)0.85361 (9)0.83422 (14)0.0231 (6)
H120.83530.86240.81530.028*
C130.7158 (3)0.88233 (11)0.86504 (14)0.0245 (7)
H130.73750.91110.86610.029*
C140.6270 (3)0.86977 (9)0.89457 (14)0.0259 (6)
H140.58920.88970.91650.031*
C150.5932 (2)0.82786 (9)0.89200 (13)0.0226 (6)
H150.53300.81910.91270.027*
C160.5438 (2)0.73372 (9)0.92063 (13)0.0181 (6)
C170.4305 (3)0.73699 (9)0.92650 (14)0.0255 (6)
H170.37820.74520.89210.031*
C180.3938 (3)0.72836 (10)0.98251 (16)0.0324 (7)
H180.31640.73010.98610.039*
C190.4705 (3)0.71709 (10)1.03343 (16)0.0362 (8)
H190.44560.71191.07200.043*
C200.5821 (4)0.71342 (13)1.02790 (18)0.0390 (9)
H200.63440.70591.06270.047*
C210.6185 (3)0.72077 (12)0.97114 (15)0.0313 (8)
H210.69510.71690.96700.038*
C220.4748 (2)0.74862 (10)0.79088 (13)0.0187 (6)
C230.4369 (3)0.78667 (10)0.76388 (14)0.0283 (7)
H230.47570.81200.77580.034*
C240.3418 (3)0.78747 (10)0.71930 (16)0.0351 (8)
H240.31600.81350.70130.042*
C250.2852 (3)0.75088 (11)0.70126 (15)0.0313 (7)
H250.22060.75170.67110.038*
C260.3230 (3)0.71324 (10)0.72730 (15)0.0275 (7)
H260.28380.68800.71530.033*
C270.4186 (2)0.71185 (10)0.77124 (14)0.0237 (6)
H270.44540.68560.78780.028*
C280.9007 (3)0.66345 (10)0.70072 (15)0.0184 (6)
C290.9094 (3)0.64519 (11)0.64350 (15)0.0203 (6)
H290.85010.64840.61040.024*
C301.0044 (3)0.62231 (11)0.63466 (16)0.0232 (7)
H301.00890.60950.59590.028*
C311.0919 (3)0.61826 (12)0.68209 (16)0.0244 (7)
H311.15750.60340.67550.029*
C321.0845 (3)0.63581 (13)0.73915 (17)0.0260 (7)
H321.14490.63290.77170.031*
C330.9888 (3)0.65777 (11)0.74910 (15)0.0228 (6)
H330.98300.66890.78870.027*
C340.6669 (2)0.68237 (10)0.65440 (13)0.0210 (6)
C350.5753 (3)0.66037 (11)0.66935 (14)0.0266 (7)
H350.57520.65110.71050.032*
C360.4834 (3)0.65156 (12)0.62534 (15)0.0331 (8)
H360.42110.63680.63680.040*
C370.4826 (3)0.66418 (10)0.56546 (14)0.0280 (7)
H370.42010.65800.53540.034*
C380.5734 (3)0.68602 (10)0.54892 (13)0.0258 (6)
H380.57280.69490.50750.031*
C390.6650 (3)0.69486 (10)0.59258 (13)0.0235 (6)
H390.72720.70950.58070.028*
C400.8220 (3)0.74817 (10)0.69748 (14)0.0248 (7)
C410.9313 (3)0.76130 (11)0.71415 (16)0.0302 (7)
H410.98650.74170.73120.036*
C420.9613 (4)0.80336 (12)0.70605 (18)0.0384 (9)
H421.03620.81220.71860.046*
C430.8836 (4)0.83164 (12)0.68024 (19)0.0479 (11)
H430.90460.86000.67430.057*
C440.7730 (4)0.81873 (11)0.66248 (19)0.0486 (10)
H440.71890.83820.64390.058*
C450.7420 (3)0.77722 (11)0.67199 (16)0.0354 (8)
H450.66630.76870.66110.042*
Ag20.224068 (16)0.688496 (6)0.323769 (9)0.01375 (4)
Cl20.36640 (6)0.65160 (2)0.40620 (3)0.01616 (14)
N60.2600 (2)0.57945 (9)0.30150 (12)0.0164 (5)
H6N0.297 (2)0.6001 (8)0.3217 (14)0.020*
N70.3116 (2)0.55402 (9)0.26416 (13)0.0161 (5)
N80.0918 (2)0.56014 (9)0.24624 (12)0.0180 (5)
H8N0.129 (3)0.5404 (9)0.2313 (16)0.022*
N90.5816 (2)0.51946 (9)0.24039 (14)0.0211 (6)
N100.4469 (2)0.47841 (10)0.14338 (13)0.0218 (6)
P30.09628 (6)0.74264 (3)0.35680 (4)0.01405 (15)
P40.29648 (6)0.69742 (2)0.22380 (3)0.01487 (15)
S20.08349 (6)0.62324 (3)0.32583 (4)0.01625 (14)
C460.1472 (2)0.58511 (10)0.28866 (14)0.0144 (5)
C470.4171 (2)0.54722 (10)0.27876 (14)0.0156 (6)
C480.4871 (2)0.56431 (11)0.33545 (15)0.0188 (6)
H48A0.47230.59440.33910.028*
H48B0.56650.56000.33230.028*
H48C0.46800.54960.37190.028*
C490.4690 (2)0.52074 (10)0.23486 (15)0.0157 (6)
C500.6249 (3)0.49865 (12)0.19625 (17)0.0260 (7)
H500.70400.49690.19860.031*
C510.5589 (3)0.47956 (11)0.14714 (16)0.0233 (7)
H510.59380.46700.11540.028*
C520.4034 (3)0.49866 (11)0.18741 (15)0.0185 (6)
H520.32460.49820.18680.022*
C530.0295 (2)0.56230 (11)0.22756 (15)0.0228 (6)
H53A0.04790.54940.18630.027*
H53B0.05240.59220.22420.027*
C540.0952 (3)0.54061 (12)0.27121 (17)0.0332 (8)
H54A0.17530.54340.25640.050*
H54B0.07840.55340.31210.050*
H54C0.07500.51080.27370.050*
C550.0384 (2)0.73692 (9)0.30721 (14)0.0174 (6)
C560.0344 (2)0.72546 (10)0.24668 (14)0.0248 (6)
H560.03610.72060.23340.030*
C570.1311 (2)0.72104 (11)0.20526 (14)0.0272 (7)
H570.12640.71350.16380.033*
C580.2340 (2)0.72749 (11)0.22384 (14)0.0266 (7)
H580.30040.72480.19520.032*
C590.2400 (2)0.73806 (10)0.28518 (14)0.0274 (7)
H590.31090.74210.29850.033*
C600.1427 (2)0.74268 (9)0.32665 (13)0.0217 (6)
H600.14710.74980.36830.026*
C610.1279 (2)0.79871 (10)0.35066 (13)0.0156 (6)
C620.0583 (2)0.82645 (9)0.31367 (13)0.0181 (5)
H620.00880.81650.29030.022*
C630.0874 (2)0.86885 (9)0.31104 (14)0.0214 (6)
H630.03980.88780.28620.026*
C640.1865 (2)0.88337 (10)0.34501 (13)0.0211 (6)
H640.20600.91230.34380.025*
C650.2558 (2)0.85580 (9)0.38011 (13)0.0211 (6)
H650.32390.86570.40250.025*
C660.2272 (2)0.81349 (9)0.38338 (13)0.0192 (5)
H660.27580.79470.40800.023*
C670.0663 (2)0.73918 (10)0.43656 (13)0.0177 (6)
C680.0057 (2)0.77009 (10)0.46254 (14)0.0230 (6)
H680.02140.79380.43870.028*
C690.0156 (2)0.76655 (10)0.52343 (14)0.0254 (6)
H690.05850.78730.54060.030*
C700.0269 (3)0.73231 (11)0.55850 (15)0.0296 (7)
H700.01220.72940.59980.035*
C710.0904 (3)0.70249 (12)0.53351 (16)0.0299 (8)
H710.12040.67940.55800.036*
C720.1110 (3)0.70583 (10)0.47272 (15)0.0223 (6)
H720.15550.68530.45610.027*
C730.4135 (2)0.66460 (10)0.20850 (14)0.0164 (6)
C740.5058 (2)0.66061 (11)0.25459 (14)0.0210 (6)
H740.50470.67360.29350.025*
C750.5991 (3)0.63762 (12)0.24352 (16)0.0244 (7)
H750.66270.63590.27430.029*
C760.5992 (3)0.61724 (11)0.18774 (16)0.0229 (7)
H760.66300.60150.18040.028*
C770.5069 (3)0.61954 (11)0.14251 (15)0.0218 (6)
H770.50670.60480.10480.026*
C780.4146 (3)0.64344 (11)0.15252 (15)0.0180 (6)
H780.35180.64540.12120.022*
C790.3445 (2)0.75107 (10)0.21133 (13)0.0180 (6)
C800.4501 (3)0.76028 (10)0.19634 (14)0.0238 (6)
H800.50090.73820.19110.029*
C810.4816 (3)0.80230 (11)0.18893 (16)0.0296 (7)
H810.55440.80850.17950.036*
C820.4080 (3)0.83442 (11)0.19526 (16)0.0336 (8)
H820.42900.86270.18920.040*
C830.3028 (3)0.82540 (10)0.21054 (16)0.0334 (8)
H830.25210.84760.21520.040*
C840.2712 (3)0.78410 (9)0.21902 (14)0.0260 (6)
H840.19940.77820.23010.031*
C850.1917 (2)0.68908 (10)0.15654 (12)0.0168 (5)
C860.1090 (2)0.65863 (10)0.15994 (13)0.0208 (6)
H860.10850.64290.19680.025*
C870.0275 (3)0.65125 (10)0.10965 (14)0.0248 (6)
H870.02870.63070.11250.030*
C880.0278 (3)0.67346 (11)0.05595 (15)0.0286 (8)
H880.02770.66800.02170.034*
C890.1085 (3)0.70359 (10)0.05165 (13)0.0277 (7)
H890.10810.71900.01450.033*
C900.1904 (2)0.71145 (10)0.10158 (14)0.0242 (6)
H900.24600.73220.09830.029*
Ag30.473216 (16)0.435776 (6)0.576047 (9)0.01369 (5)
Cl30.61650 (6)0.47296 (2)0.65742 (3)0.01630 (13)
N110.5127 (2)0.54412 (9)0.55109 (12)0.0157 (5)
H11N0.547 (2)0.5309 (10)0.5837 (11)0.019*
N120.5656 (2)0.56962 (9)0.51289 (12)0.0163 (5)
N130.3463 (2)0.56313 (9)0.49290 (12)0.0175 (5)
H13N0.381 (3)0.5821 (9)0.4736 (15)0.021*
N140.8364 (2)0.60499 (9)0.49304 (14)0.0224 (6)
N150.7056 (2)0.64570 (10)0.39430 (12)0.0211 (6)
P50.34543 (6)0.38197 (3)0.61001 (4)0.01413 (15)
P60.54480 (6)0.42590 (3)0.47599 (3)0.01462 (15)
S30.33439 (6)0.50170 (3)0.57482 (4)0.01697 (15)
C910.3997 (2)0.53877 (10)0.53675 (14)0.0154 (6)
C920.6714 (2)0.57670 (10)0.52943 (14)0.0159 (6)
C930.7392 (3)0.56075 (12)0.58698 (16)0.0228 (7)
H93A0.71540.57480.62270.034*
H93B0.81860.56660.58570.034*
H93C0.72800.53040.59030.034*
C940.7246 (2)0.60256 (10)0.48505 (14)0.0158 (6)
C950.8817 (3)0.62717 (12)0.45030 (17)0.0265 (8)
H950.96080.62960.45420.032*
C960.8178 (3)0.64632 (12)0.40133 (17)0.0241 (7)
H960.85420.66040.37150.029*
C970.6597 (3)0.62427 (11)0.43676 (15)0.0180 (6)
H970.58050.62370.43430.022*
C980.2258 (2)0.56039 (11)0.47262 (15)0.0213 (6)
H98A0.20330.53040.46950.026*
H98B0.20840.57310.43110.026*
C990.1591 (3)0.58266 (13)0.51643 (18)0.0378 (9)
H99A0.07900.57980.50160.057*
H99B0.17940.61250.51860.057*
H99C0.17560.57010.55750.057*
C1000.3150 (2)0.38481 (9)0.68954 (13)0.0173 (6)
C1010.2538 (2)0.35355 (9)0.71551 (13)0.0219 (6)
H1010.22650.33000.69130.026*
C1020.2326 (2)0.35663 (11)0.77614 (14)0.0258 (6)
H1020.19040.33550.79310.031*
C1030.2737 (3)0.39084 (10)0.81157 (14)0.0282 (7)
H1030.25800.39370.85260.034*
C1040.3379 (3)0.42092 (12)0.78689 (16)0.0321 (8)
H1040.36840.44360.81190.039*
C1050.3584 (3)0.41839 (10)0.72604 (15)0.0248 (7)
H1050.40170.43940.70960.030*
C1060.3779 (2)0.32625 (10)0.60382 (14)0.0154 (6)
C1070.4774 (2)0.31149 (9)0.63677 (13)0.0202 (5)
H1070.52560.33040.66140.024*
C1080.5068 (2)0.26930 (10)0.63396 (13)0.0228 (6)
H1080.57560.25970.65600.027*
C1090.4364 (3)0.24128 (10)0.59929 (14)0.0214 (6)
H1090.45550.21230.59850.026*
C1100.3367 (2)0.25581 (9)0.56538 (13)0.0196 (6)
H1100.28890.23680.54080.023*
C1110.3075 (2)0.29808 (9)0.56751 (13)0.0185 (5)
H1110.24000.30780.54440.022*
C1120.2114 (2)0.38766 (9)0.56068 (13)0.0165 (5)
C1130.1067 (2)0.38141 (9)0.57933 (13)0.0207 (5)
H1130.10170.37400.62080.025*
C1140.0087 (2)0.38603 (10)0.53726 (14)0.0250 (6)
H1140.06230.38180.55030.030*
C1150.0154 (2)0.39675 (11)0.47695 (15)0.0268 (7)
H1150.05100.39950.44840.032*
C1160.1180 (3)0.40352 (11)0.45798 (14)0.0287 (7)
H1160.12240.41120.41650.034*
C1170.2154 (2)0.39908 (10)0.49974 (13)0.0235 (6)
H1170.28600.40390.48640.028*
C1180.6609 (2)0.45917 (10)0.45967 (14)0.0170 (6)
C1190.7531 (2)0.46313 (11)0.50541 (15)0.0207 (6)
H1190.75270.44990.54420.025*
C1200.8460 (3)0.48661 (12)0.49410 (16)0.0228 (7)
H1200.90900.48910.52520.027*
C1210.8467 (3)0.50637 (11)0.43751 (16)0.0221 (7)
H1210.91060.52170.42950.027*
C1220.7533 (3)0.50349 (11)0.39270 (15)0.0219 (6)
H1220.75260.51760.35450.026*
C1230.6604 (3)0.47990 (10)0.40375 (15)0.0182 (6)
H1230.59680.47800.37300.022*
C1240.4400 (2)0.43286 (10)0.40783 (12)0.0172 (5)
C1250.4387 (2)0.40877 (10)0.35524 (13)0.0227 (6)
H1250.49320.38740.35380.027*
C1260.35831 (19)0.41567 (8)0.30446 (10)0.0281 (7)
H1260.35750.39870.26870.034*
C1270.27943 (19)0.44705 (8)0.30562 (10)0.0266 (7)
H1270.22530.45200.27050.032*
C1280.2796 (3)0.47113 (11)0.35795 (15)0.0271 (7)
H1280.22530.49260.35900.032*
C1290.3596 (3)0.46393 (10)0.40927 (14)0.0223 (6)
H1290.35910.48040.44540.027*
C1300.5952 (2)0.37254 (10)0.46526 (13)0.0186 (6)
C1310.7004 (3)0.36319 (11)0.45056 (15)0.0241 (7)
H1310.75070.38540.44520.029*
C1320.7338 (3)0.32179 (12)0.44343 (17)0.0341 (8)
H1320.80640.31600.43340.041*
C1330.6611 (3)0.28918 (11)0.45095 (16)0.0344 (8)
H1330.68350.26090.44560.041*
C1340.5567 (3)0.29753 (10)0.46617 (15)0.0321 (7)
H1340.50710.27510.47170.039*
C1350.5238 (3)0.33892 (9)0.47343 (13)0.0255 (6)
H1350.45150.34450.48410.031*
Ag40.038125 (18)0.439474 (6)0.073147 (9)0.01726 (5)
Cl40.10740 (6)0.47297 (2)0.15720 (3)0.01678 (14)
N160.0143 (2)0.54561 (9)0.05256 (13)0.0156 (5)
H16N0.047 (3)0.5308 (9)0.0825 (12)0.019*
N170.0680 (2)0.57030 (9)0.01351 (12)0.0154 (5)
N180.1502 (2)0.56879 (10)0.00276 (12)0.0192 (5)
H18N0.112 (3)0.5859 (10)0.0222 (16)0.023*
N190.3403 (2)0.59985 (10)0.01125 (14)0.0248 (6)
N200.2088 (2)0.64353 (10)0.10746 (13)0.0236 (6)
P70.15849 (6)0.38179 (3)0.10226 (4)0.01484 (15)
P80.01543 (7)0.43194 (3)0.03167 (3)0.02084 (16)
S40.16819 (6)0.50928 (3)0.08195 (4)0.01785 (15)
C1360.0996 (2)0.54359 (10)0.04060 (14)0.0160 (6)
C1370.1748 (2)0.57632 (10)0.02937 (14)0.0157 (6)
C1380.2424 (3)0.56014 (12)0.08687 (15)0.0197 (7)
H13A0.22020.57480.12260.030*
H13B0.32200.56520.08510.030*
H13C0.22930.52990.09060.030*
C1390.2285 (2)0.60097 (10)0.01585 (14)0.0162 (6)
C1400.3846 (3)0.61961 (14)0.05631 (18)0.0346 (9)
H1400.46360.61950.05520.041*
C1410.3205 (3)0.63988 (13)0.10371 (18)0.0310 (8)
H1410.35660.65190.13540.037*
C1420.1638 (3)0.62441 (11)0.06249 (14)0.0182 (6)
H1420.08540.62670.06190.022*
C1430.2710 (3)0.57430 (14)0.01568 (17)0.0388 (10)
H14A0.30900.54750.00870.047*
H14B0.29240.58250.05930.047*
C1440.3074 (4)0.60825 (19)0.0264 (2)0.0759 (19)
H14C0.38870.61190.01790.114*
H14D0.27040.63480.01890.114*
H14E0.28630.59990.06950.114*
C1450.2137 (2)0.39298 (10)0.17381 (13)0.0212 (6)
C1460.3248 (3)0.38613 (9)0.18182 (14)0.0252 (6)
H1460.37670.37600.14850.030*
C1470.3604 (3)0.39411 (10)0.23859 (16)0.0330 (7)
H1470.43620.38950.24390.040*
C1480.2845 (3)0.40885 (11)0.28712 (16)0.0382 (8)
H1480.30820.41370.32610.046*
C1490.1737 (4)0.41671 (13)0.27939 (16)0.0335 (8)
H1490.12230.42700.31290.040*
C1500.1386 (3)0.40949 (11)0.22258 (16)0.0278 (7)
H1500.06380.41570.21670.033*
C1510.2832 (2)0.37740 (10)0.04449 (14)0.0195 (6)
C1520.3356 (2)0.41434 (9)0.02134 (13)0.0217 (6)
H1520.30620.44070.03600.026*
C1530.4306 (3)0.41300 (11)0.02306 (15)0.0274 (7)
H1530.46570.43840.03800.033*
C1540.4739 (3)0.37496 (11)0.04535 (15)0.0297 (7)
H1540.53880.37410.07540.036*
C1550.4219 (3)0.33781 (11)0.02347 (15)0.0325 (7)
H1550.45100.31150.03880.039*
C1560.3271 (3)0.33913 (10)0.02085 (14)0.0265 (6)
H1560.29170.31360.03520.032*
C1570.1113 (2)0.32737 (10)0.11259 (14)0.0170 (6)
C1580.1672 (2)0.29837 (9)0.14576 (13)0.0229 (6)
H1580.22680.30750.16660.027*
C1590.1352 (2)0.25615 (9)0.14803 (14)0.0240 (6)
H1590.17410.23650.16980.029*
C1600.0466 (3)0.24285 (10)0.11850 (14)0.0236 (6)
H1600.02580.21400.11940.028*
C1610.0111 (2)0.27170 (10)0.08788 (14)0.0258 (6)
H1610.07290.26270.06870.031*
C1620.0205 (2)0.31398 (9)0.08476 (14)0.0224 (6)
H1620.01990.33360.06370.027*
C1630.1388 (3)0.46079 (10)0.04771 (14)0.0187 (6)
C1640.2273 (3)0.46542 (10)0.00002 (14)0.0219 (6)
H1640.22010.45460.03970.026*
C1650.3260 (3)0.48554 (12)0.00943 (16)0.0249 (7)
H1650.38630.48780.02320.030*
C1660.3354 (3)0.50225 (12)0.06692 (16)0.0257 (7)
H1660.40220.51620.07360.031*
C1670.2474 (3)0.49856 (11)0.11457 (15)0.0242 (7)
H1670.25400.51020.15380.029*
C1680.1494 (3)0.47781 (11)0.10522 (15)0.0209 (6)
H1680.08960.47530.13810.025*
C1690.0499 (3)0.37773 (10)0.04887 (14)0.0304 (7)
C1700.0360 (4)0.34958 (11)0.07160 (16)0.0453 (10)
H1700.11120.35910.08040.054*
C1710.0100 (5)0.30719 (12)0.08127 (18)0.0650 (15)
H1710.06720.28830.09810.078*
C1720.0998 (5)0.29289 (13)0.06615 (19)0.0625 (15)
H1720.11680.26410.07140.075*
C1730.1832 (4)0.32030 (12)0.04381 (19)0.0507 (11)
H1730.25800.31050.03430.061*
C1740.1590 (4)0.36288 (11)0.03481 (16)0.0367 (9)
H1740.21740.38160.01910.044*
C1750.0980 (3)0.44532 (11)0.09379 (13)0.0245 (7)
C1760.1838 (3)0.47031 (11)0.07890 (14)0.0286 (7)
H1760.18090.48070.03810.034*
C1770.2757 (3)0.48059 (11)0.12342 (15)0.0324 (7)
H1770.33360.49820.11290.039*
C1780.2808 (3)0.46484 (11)0.18230 (14)0.0312 (7)
H1780.34350.47090.21230.037*
C1790.1953 (3)0.44043 (11)0.19746 (14)0.0295 (7)
H1790.19870.43020.23840.035*
C1800.1033 (3)0.43022 (11)0.15419 (14)0.0302 (7)
H1800.04480.41320.16550.036*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.01779 (9)0.01646 (10)0.01339 (9)0.00323 (8)0.00165 (7)0.00037 (8)
Cl10.0175 (3)0.0188 (4)0.0146 (3)0.0009 (3)0.0022 (3)0.0005 (3)
N10.0170 (11)0.0185 (14)0.0177 (13)0.0021 (10)0.0020 (10)0.0071 (11)
N20.0189 (12)0.0146 (13)0.0182 (13)0.0016 (10)0.0030 (11)0.0031 (11)
N30.0180 (11)0.0188 (13)0.0189 (13)0.0015 (10)0.0033 (10)0.0044 (11)
N40.0160 (12)0.0261 (15)0.0267 (14)0.0014 (10)0.0008 (11)0.0082 (12)
N50.0227 (12)0.0221 (14)0.0207 (13)0.0002 (11)0.0043 (11)0.0037 (11)
P10.0162 (3)0.0129 (4)0.0157 (3)0.0015 (3)0.0027 (3)0.0005 (3)
P20.0239 (3)0.0173 (4)0.0134 (3)0.0028 (3)0.0047 (3)0.0016 (3)
S10.0149 (3)0.0186 (3)0.0161 (3)0.0003 (3)0.0040 (3)0.0017 (3)
C10.0181 (13)0.0131 (13)0.0129 (13)0.0019 (10)0.0022 (11)0.0010 (11)
C20.0158 (12)0.0159 (15)0.0157 (14)0.0009 (11)0.0009 (11)0.0007 (11)
C30.0216 (15)0.0210 (17)0.0220 (16)0.0021 (13)0.0007 (13)0.0021 (14)
C40.0151 (12)0.0137 (14)0.0199 (14)0.0012 (10)0.0027 (11)0.0017 (11)
C50.0170 (14)0.0338 (18)0.0315 (18)0.0025 (13)0.0020 (13)0.0143 (15)
C60.0223 (14)0.0251 (16)0.0238 (16)0.0025 (12)0.0039 (12)0.0090 (13)
C70.0178 (13)0.0179 (15)0.0188 (15)0.0019 (12)0.0021 (12)0.0017 (12)
C80.0163 (13)0.0357 (17)0.0212 (14)0.0064 (12)0.0018 (11)0.0073 (13)
C90.0327 (17)0.049 (2)0.0318 (18)0.0251 (16)0.0083 (14)0.0037 (16)
C100.0194 (13)0.0148 (14)0.0144 (13)0.0006 (10)0.0008 (10)0.0001 (11)
C110.0211 (13)0.0227 (14)0.0177 (13)0.0011 (11)0.0024 (11)0.0014 (11)
C120.0239 (14)0.0249 (15)0.0199 (14)0.0057 (11)0.0011 (11)0.0011 (11)
C130.0319 (16)0.0192 (15)0.0216 (15)0.0076 (12)0.0014 (12)0.0014 (12)
C140.0322 (15)0.0191 (14)0.0263 (15)0.0031 (12)0.0043 (12)0.0040 (12)
C150.0234 (13)0.0211 (14)0.0240 (14)0.0000 (11)0.0062 (11)0.0002 (12)
C160.0238 (13)0.0117 (13)0.0202 (14)0.0026 (10)0.0078 (11)0.0018 (11)
C170.0290 (15)0.0228 (14)0.0252 (15)0.0012 (12)0.0061 (12)0.0026 (12)
C180.0385 (18)0.0292 (17)0.0337 (18)0.0024 (14)0.0202 (15)0.0028 (14)
C190.062 (2)0.0206 (15)0.0308 (18)0.0096 (16)0.0247 (17)0.0053 (13)
C200.052 (2)0.045 (2)0.0203 (17)0.0109 (18)0.0056 (16)0.0058 (16)
C210.0311 (16)0.045 (2)0.0185 (15)0.0074 (15)0.0041 (13)0.0009 (15)
C220.0177 (12)0.0222 (14)0.0163 (13)0.0036 (11)0.0025 (10)0.0004 (11)
C230.0335 (16)0.0195 (14)0.0278 (16)0.0002 (12)0.0097 (13)0.0017 (12)
C240.0394 (18)0.0255 (16)0.0344 (18)0.0061 (14)0.0158 (14)0.0023 (14)
C250.0253 (15)0.0385 (19)0.0270 (17)0.0040 (14)0.0068 (12)0.0057 (14)
C260.0284 (15)0.0246 (16)0.0280 (17)0.0037 (13)0.0012 (13)0.0007 (13)
C270.0210 (13)0.0223 (14)0.0273 (16)0.0000 (11)0.0019 (12)0.0038 (12)
C280.0223 (13)0.0150 (14)0.0189 (14)0.0012 (11)0.0067 (11)0.0008 (11)
C290.0203 (14)0.0238 (16)0.0173 (14)0.0022 (12)0.0045 (11)0.0000 (12)
C300.0248 (14)0.0258 (16)0.0205 (14)0.0007 (12)0.0085 (12)0.0039 (12)
C310.0210 (14)0.0283 (17)0.0251 (16)0.0001 (13)0.0077 (13)0.0014 (13)
C320.0227 (15)0.0327 (19)0.0222 (16)0.0005 (13)0.0021 (13)0.0006 (14)
C330.0280 (15)0.0209 (15)0.0195 (14)0.0033 (12)0.0036 (12)0.0023 (12)
C340.0284 (14)0.0210 (16)0.0136 (12)0.0077 (12)0.0031 (10)0.0033 (11)
C350.0302 (15)0.0346 (17)0.0139 (13)0.0010 (13)0.0010 (12)0.0062 (12)
C360.0292 (16)0.046 (2)0.0228 (16)0.0017 (15)0.0006 (13)0.0036 (15)
C370.0366 (17)0.0274 (16)0.0182 (14)0.0045 (13)0.0022 (13)0.0033 (12)
C380.0416 (17)0.0234 (15)0.0117 (12)0.0056 (14)0.0011 (11)0.0019 (12)
C390.0340 (15)0.0231 (15)0.0135 (12)0.0002 (12)0.0040 (11)0.0006 (11)
C400.0419 (17)0.0172 (14)0.0164 (14)0.0029 (12)0.0080 (13)0.0026 (11)
C410.0439 (19)0.0209 (16)0.0247 (17)0.0061 (14)0.0010 (14)0.0021 (13)
C420.058 (2)0.0249 (18)0.0312 (19)0.0120 (16)0.0024 (16)0.0002 (15)
C430.087 (3)0.0208 (17)0.036 (2)0.0072 (19)0.010 (2)0.0055 (16)
C440.081 (3)0.0213 (17)0.040 (2)0.0112 (18)0.003 (2)0.0015 (16)
C450.0469 (19)0.0273 (16)0.0301 (17)0.0072 (15)0.0009 (15)0.0011 (14)
Ag20.01437 (9)0.01432 (10)0.01253 (10)0.00230 (8)0.00178 (7)0.00075 (8)
Cl20.0160 (3)0.0171 (3)0.0142 (3)0.0014 (3)0.0021 (2)0.0004 (3)
N60.0168 (11)0.0171 (13)0.0149 (12)0.0008 (10)0.0014 (10)0.0046 (10)
N70.0173 (11)0.0145 (13)0.0171 (13)0.0021 (10)0.0040 (10)0.0014 (10)
N80.0177 (11)0.0178 (12)0.0185 (12)0.0010 (10)0.0022 (10)0.0054 (10)
N90.0174 (11)0.0211 (13)0.0245 (14)0.0025 (10)0.0024 (10)0.0042 (11)
N100.0246 (13)0.0214 (14)0.0199 (13)0.0051 (11)0.0053 (11)0.0022 (11)
P30.0139 (3)0.0138 (4)0.0148 (3)0.0011 (3)0.0029 (3)0.0005 (3)
P40.0161 (3)0.0169 (4)0.0121 (3)0.0012 (3)0.0035 (2)0.0012 (3)
S20.0127 (3)0.0180 (3)0.0184 (3)0.0007 (2)0.0035 (3)0.0040 (3)
C460.0157 (12)0.0131 (13)0.0145 (13)0.0018 (10)0.0023 (11)0.0000 (11)
C470.0175 (13)0.0165 (15)0.0122 (13)0.0009 (11)0.0003 (11)0.0006 (11)
C480.0168 (13)0.0191 (16)0.0198 (15)0.0027 (12)0.0002 (12)0.0023 (13)
C490.0159 (12)0.0125 (13)0.0188 (14)0.0007 (10)0.0030 (11)0.0000 (11)
C500.0201 (14)0.0274 (17)0.0313 (18)0.0031 (13)0.0058 (13)0.0062 (14)
C510.0247 (15)0.0238 (16)0.0221 (15)0.0041 (12)0.0055 (12)0.0066 (13)
C520.0191 (13)0.0184 (15)0.0179 (14)0.0038 (12)0.0017 (11)0.0011 (12)
C530.0164 (12)0.0296 (16)0.0217 (14)0.0039 (11)0.0003 (11)0.0046 (12)
C540.0277 (16)0.040 (2)0.0324 (18)0.0145 (14)0.0041 (14)0.0004 (15)
C550.0143 (12)0.0169 (14)0.0207 (14)0.0003 (10)0.0014 (10)0.0008 (11)
C560.0217 (14)0.0298 (16)0.0229 (15)0.0001 (12)0.0038 (11)0.0046 (13)
C570.0219 (14)0.0407 (19)0.0186 (14)0.0027 (13)0.0011 (11)0.0027 (13)
C580.0183 (13)0.0361 (18)0.0240 (15)0.0009 (13)0.0018 (12)0.0029 (13)
C590.0165 (13)0.0364 (18)0.0302 (16)0.0010 (12)0.0060 (12)0.0013 (14)
C600.0198 (13)0.0268 (15)0.0191 (13)0.0020 (11)0.0043 (10)0.0015 (12)
C610.0167 (12)0.0173 (14)0.0143 (12)0.0003 (10)0.0073 (10)0.0029 (11)
C620.0166 (12)0.0177 (13)0.0203 (13)0.0003 (10)0.0037 (10)0.0013 (10)
C630.0217 (14)0.0197 (14)0.0230 (14)0.0044 (11)0.0036 (11)0.0030 (11)
C640.0277 (14)0.0182 (14)0.0190 (14)0.0042 (12)0.0084 (12)0.0024 (12)
C650.0229 (13)0.0219 (14)0.0189 (13)0.0064 (11)0.0043 (11)0.0027 (11)
C660.0200 (13)0.0206 (13)0.0170 (13)0.0006 (10)0.0023 (10)0.0004 (11)
C670.0186 (13)0.0178 (14)0.0178 (13)0.0008 (11)0.0068 (11)0.0000 (11)
C680.0224 (13)0.0250 (15)0.0217 (14)0.0023 (11)0.0031 (11)0.0025 (12)
C690.0245 (14)0.0316 (16)0.0209 (14)0.0002 (12)0.0066 (11)0.0077 (12)
C700.0361 (17)0.0336 (18)0.0204 (15)0.0071 (14)0.0092 (13)0.0000 (13)
C710.047 (2)0.0216 (16)0.0229 (16)0.0007 (14)0.0095 (15)0.0050 (13)
C720.0305 (15)0.0185 (15)0.0183 (14)0.0003 (12)0.0048 (12)0.0028 (11)
C730.0185 (12)0.0151 (13)0.0159 (13)0.0002 (10)0.0042 (10)0.0016 (11)
C740.0226 (14)0.0252 (16)0.0145 (13)0.0031 (12)0.0006 (11)0.0004 (12)
C750.0210 (14)0.0313 (18)0.0203 (15)0.0046 (13)0.0010 (12)0.0022 (13)
C760.0206 (14)0.0257 (16)0.0236 (15)0.0046 (12)0.0068 (12)0.0017 (13)
C770.0241 (14)0.0232 (15)0.0194 (14)0.0026 (12)0.0076 (12)0.0033 (12)
C780.0167 (12)0.0225 (15)0.0150 (13)0.0004 (11)0.0029 (10)0.0020 (11)
C790.0217 (13)0.0179 (13)0.0140 (12)0.0027 (11)0.0007 (10)0.0010 (10)
C800.0250 (14)0.0251 (16)0.0201 (14)0.0030 (12)0.0009 (11)0.0009 (12)
C810.0266 (15)0.0302 (17)0.0316 (17)0.0097 (13)0.0027 (13)0.0051 (14)
C820.055 (2)0.0216 (16)0.0242 (16)0.0104 (15)0.0056 (15)0.0041 (13)
C830.053 (2)0.0186 (15)0.0311 (17)0.0067 (14)0.0128 (16)0.0019 (13)
C840.0323 (16)0.0197 (14)0.0281 (16)0.0016 (12)0.0119 (13)0.0034 (12)
C850.0199 (12)0.0189 (13)0.0113 (11)0.0065 (11)0.0013 (9)0.0004 (10)
C860.0267 (14)0.0200 (14)0.0144 (13)0.0018 (12)0.0014 (11)0.0011 (11)
C870.0276 (15)0.0234 (15)0.0222 (15)0.0021 (12)0.0013 (12)0.0046 (12)
C880.0253 (15)0.0383 (19)0.0202 (15)0.0105 (14)0.0038 (12)0.0117 (13)
C890.0340 (16)0.0348 (17)0.0140 (13)0.0083 (13)0.0017 (12)0.0052 (12)
C900.0229 (14)0.0332 (16)0.0175 (13)0.0056 (12)0.0060 (11)0.0053 (12)
Ag30.01369 (9)0.01420 (12)0.01306 (9)0.00204 (8)0.00143 (7)0.00095 (8)
Cl30.0163 (3)0.0168 (3)0.0146 (3)0.0025 (3)0.0019 (3)0.0001 (3)
N110.0162 (11)0.0147 (12)0.0159 (12)0.0026 (9)0.0015 (10)0.0030 (10)
N120.0153 (11)0.0168 (13)0.0170 (12)0.0005 (10)0.0027 (10)0.0012 (11)
N130.0148 (11)0.0179 (13)0.0195 (13)0.0023 (9)0.0018 (10)0.0052 (10)
N140.0162 (11)0.0238 (15)0.0269 (15)0.0017 (10)0.0018 (11)0.0066 (12)
N150.0203 (12)0.0250 (15)0.0177 (13)0.0005 (10)0.0009 (10)0.0048 (11)
P50.0130 (3)0.0142 (4)0.0153 (3)0.0018 (3)0.0025 (3)0.0001 (3)
P60.0151 (3)0.0165 (4)0.0125 (3)0.0019 (3)0.0028 (2)0.0012 (3)
S30.0148 (3)0.0170 (4)0.0196 (4)0.0010 (3)0.0042 (3)0.0038 (3)
C910.0148 (12)0.0154 (14)0.0167 (14)0.0001 (11)0.0046 (11)0.0021 (11)
C920.0189 (13)0.0110 (13)0.0180 (14)0.0029 (11)0.0032 (11)0.0003 (11)
C930.0203 (14)0.0250 (18)0.0215 (16)0.0033 (13)0.0023 (13)0.0100 (14)
C940.0180 (13)0.0150 (14)0.0142 (13)0.0015 (11)0.0012 (11)0.0022 (11)
C950.0177 (14)0.0287 (18)0.0324 (18)0.0020 (13)0.0006 (13)0.0110 (15)
C960.0195 (14)0.0270 (18)0.0270 (17)0.0009 (12)0.0074 (13)0.0054 (14)
C970.0175 (13)0.0194 (15)0.0163 (14)0.0007 (11)0.0004 (11)0.0009 (12)
C980.0186 (13)0.0244 (16)0.0204 (14)0.0041 (11)0.0010 (11)0.0048 (12)
C990.0298 (17)0.044 (2)0.040 (2)0.0198 (16)0.0078 (15)0.0089 (18)
C1000.0196 (13)0.0171 (13)0.0157 (13)0.0030 (11)0.0045 (11)0.0002 (11)
C1010.0215 (13)0.0232 (14)0.0216 (14)0.0022 (11)0.0046 (11)0.0001 (11)
C1020.0215 (14)0.0344 (17)0.0227 (15)0.0004 (12)0.0074 (11)0.0077 (13)
C1030.0374 (17)0.0312 (17)0.0184 (14)0.0066 (14)0.0126 (13)0.0015 (12)
C1040.051 (2)0.0247 (17)0.0219 (16)0.0029 (15)0.0095 (15)0.0040 (13)
C1050.0341 (16)0.0200 (15)0.0218 (15)0.0058 (12)0.0092 (13)0.0006 (12)
C1060.0164 (12)0.0141 (13)0.0168 (13)0.0002 (10)0.0060 (10)0.0014 (11)
C1070.0208 (13)0.0232 (14)0.0162 (13)0.0006 (11)0.0011 (10)0.0013 (11)
C1080.0235 (13)0.0264 (15)0.0179 (13)0.0039 (12)0.0012 (11)0.0026 (12)
C1090.0306 (15)0.0140 (13)0.0218 (14)0.0032 (12)0.0115 (12)0.0012 (11)
C1100.0241 (13)0.0162 (13)0.0197 (13)0.0005 (11)0.0077 (11)0.0023 (11)
C1110.0162 (12)0.0198 (13)0.0195 (13)0.0011 (10)0.0030 (10)0.0023 (11)
C1120.0145 (11)0.0156 (13)0.0190 (13)0.0010 (10)0.0004 (10)0.0000 (10)
C1130.0179 (12)0.0217 (13)0.0229 (14)0.0012 (11)0.0045 (10)0.0050 (11)
C1140.0154 (13)0.0308 (16)0.0292 (15)0.0008 (11)0.0048 (11)0.0032 (13)
C1150.0198 (14)0.0330 (17)0.0260 (16)0.0016 (12)0.0028 (12)0.0003 (13)
C1160.0261 (15)0.0401 (19)0.0186 (14)0.0029 (14)0.0011 (12)0.0042 (13)
C1170.0163 (13)0.0332 (16)0.0210 (14)0.0032 (12)0.0024 (11)0.0026 (12)
C1180.0164 (12)0.0185 (14)0.0165 (13)0.0009 (11)0.0038 (10)0.0046 (11)
C1190.0233 (14)0.0226 (16)0.0164 (14)0.0038 (12)0.0037 (11)0.0018 (12)
C1200.0211 (14)0.0270 (17)0.0193 (15)0.0048 (12)0.0000 (12)0.0007 (13)
C1210.0180 (13)0.0238 (16)0.0254 (16)0.0052 (12)0.0060 (12)0.0024 (13)
C1220.0219 (14)0.0235 (16)0.0212 (15)0.0033 (12)0.0056 (12)0.0023 (12)
C1230.0172 (13)0.0185 (15)0.0192 (14)0.0014 (11)0.0031 (11)0.0010 (11)
C1240.0169 (11)0.0207 (14)0.0142 (11)0.0069 (11)0.0033 (9)0.0006 (11)
C1250.0194 (13)0.0315 (16)0.0168 (13)0.0005 (11)0.0008 (10)0.0035 (12)
C1260.0296 (15)0.0371 (17)0.0165 (13)0.0058 (13)0.0007 (11)0.0037 (12)
C1270.0262 (14)0.0346 (18)0.0165 (13)0.0097 (13)0.0053 (11)0.0073 (13)
C1280.0244 (14)0.0298 (16)0.0255 (16)0.0001 (13)0.0022 (12)0.0082 (13)
C1290.0281 (15)0.0206 (15)0.0175 (14)0.0001 (12)0.0003 (12)0.0005 (11)
C1300.0249 (14)0.0187 (14)0.0127 (12)0.0008 (11)0.0042 (11)0.0021 (11)
C1310.0208 (14)0.0238 (16)0.0269 (16)0.0015 (12)0.0003 (12)0.0045 (13)
C1320.0346 (18)0.034 (2)0.0329 (19)0.0137 (15)0.0011 (15)0.0061 (15)
C1330.052 (2)0.0227 (16)0.0290 (18)0.0115 (15)0.0079 (16)0.0024 (14)
C1340.055 (2)0.0170 (14)0.0257 (16)0.0024 (14)0.0108 (15)0.0011 (12)
C1350.0345 (16)0.0216 (14)0.0214 (14)0.0052 (12)0.0074 (12)0.0013 (12)
Ag40.02132 (10)0.01748 (13)0.01248 (10)0.00586 (9)0.00067 (8)0.00058 (8)
Cl40.0177 (3)0.0165 (3)0.0150 (3)0.0013 (3)0.0017 (2)0.0006 (3)
N160.0125 (11)0.0154 (13)0.0188 (13)0.0024 (9)0.0018 (10)0.0033 (10)
N170.0164 (11)0.0153 (13)0.0148 (12)0.0001 (10)0.0029 (10)0.0010 (10)
N180.0154 (11)0.0245 (14)0.0176 (12)0.0005 (10)0.0022 (10)0.0051 (11)
N190.0164 (12)0.0342 (16)0.0237 (14)0.0041 (11)0.0024 (11)0.0047 (12)
N200.0252 (13)0.0274 (15)0.0175 (13)0.0065 (11)0.0001 (11)0.0032 (11)
P70.0158 (3)0.0142 (4)0.0147 (3)0.0013 (3)0.0029 (3)0.0003 (3)
P80.0333 (4)0.0179 (4)0.0114 (3)0.0063 (3)0.0035 (3)0.0004 (3)
S40.0154 (3)0.0226 (4)0.0156 (3)0.0037 (3)0.0024 (3)0.0026 (3)
C1360.0156 (12)0.0177 (14)0.0148 (13)0.0000 (11)0.0023 (11)0.0020 (11)
C1370.0165 (13)0.0138 (14)0.0167 (14)0.0014 (11)0.0022 (11)0.0002 (11)
C1380.0172 (13)0.0221 (17)0.0186 (15)0.0034 (12)0.0015 (12)0.0037 (13)
C1390.0182 (13)0.0167 (14)0.0137 (13)0.0017 (11)0.0017 (11)0.0029 (11)
C1400.0189 (15)0.056 (3)0.0295 (18)0.0103 (15)0.0058 (14)0.0049 (17)
C1410.0245 (16)0.043 (2)0.0264 (17)0.0117 (15)0.0076 (14)0.0044 (15)
C1420.0179 (13)0.0202 (16)0.0163 (14)0.0042 (12)0.0012 (11)0.0020 (12)
C1430.0184 (14)0.068 (3)0.0289 (18)0.0080 (16)0.0013 (13)0.0262 (18)
C1440.054 (3)0.141 (5)0.035 (2)0.068 (3)0.013 (2)0.009 (3)
C1450.0284 (15)0.0180 (15)0.0186 (14)0.0018 (11)0.0075 (12)0.0017 (11)
C1460.0303 (15)0.0194 (14)0.0280 (15)0.0043 (12)0.0113 (12)0.0035 (12)
C1470.0444 (19)0.0216 (15)0.0378 (18)0.0027 (14)0.0225 (16)0.0033 (13)
C1480.068 (2)0.0283 (18)0.0233 (16)0.0047 (17)0.0242 (17)0.0056 (14)
C1490.054 (2)0.0306 (18)0.0165 (15)0.0041 (16)0.0069 (15)0.0040 (13)
C1500.0311 (16)0.0317 (18)0.0206 (15)0.0050 (13)0.0034 (13)0.0019 (13)
C1510.0183 (12)0.0213 (15)0.0189 (14)0.0028 (11)0.0030 (10)0.0032 (12)
C1520.0218 (13)0.0204 (14)0.0233 (14)0.0030 (11)0.0043 (11)0.0012 (11)
C1530.0237 (15)0.0301 (17)0.0273 (16)0.0052 (13)0.0005 (12)0.0046 (13)
C1540.0232 (14)0.0369 (18)0.0264 (16)0.0040 (13)0.0053 (12)0.0020 (14)
C1550.0368 (17)0.0284 (16)0.0295 (17)0.0066 (14)0.0060 (14)0.0018 (13)
C1560.0303 (15)0.0227 (15)0.0239 (15)0.0021 (12)0.0052 (12)0.0012 (12)
C1570.0162 (12)0.0156 (14)0.0187 (14)0.0011 (10)0.0008 (10)0.0022 (11)
C1580.0233 (13)0.0212 (14)0.0242 (14)0.0002 (11)0.0035 (11)0.0054 (12)
C1590.0251 (14)0.0199 (14)0.0266 (15)0.0008 (11)0.0023 (11)0.0058 (12)
C1600.0293 (15)0.0194 (14)0.0206 (14)0.0054 (12)0.0020 (12)0.0015 (12)
C1610.0254 (14)0.0298 (16)0.0219 (15)0.0047 (12)0.0025 (11)0.0027 (12)
C1620.0226 (13)0.0210 (14)0.0234 (15)0.0021 (11)0.0032 (11)0.0001 (11)
C1630.0274 (14)0.0168 (14)0.0130 (13)0.0014 (11)0.0065 (11)0.0003 (11)
C1640.0319 (15)0.0202 (15)0.0146 (13)0.0003 (12)0.0065 (12)0.0005 (11)
C1650.0299 (16)0.0259 (17)0.0193 (15)0.0032 (13)0.0047 (13)0.0026 (12)
C1660.0218 (14)0.0315 (18)0.0251 (16)0.0043 (13)0.0074 (13)0.0025 (14)
C1670.0271 (15)0.0273 (16)0.0196 (14)0.0047 (13)0.0079 (12)0.0063 (13)
C1680.0259 (15)0.0194 (15)0.0182 (14)0.0022 (12)0.0057 (12)0.0044 (12)
C1690.058 (2)0.0185 (14)0.0149 (14)0.0035 (15)0.0044 (14)0.0015 (12)
C1700.077 (3)0.0235 (16)0.0295 (18)0.0127 (17)0.0135 (18)0.0062 (14)
C1710.134 (4)0.0237 (18)0.029 (2)0.019 (2)0.018 (2)0.0024 (15)
C1720.133 (5)0.0194 (18)0.033 (2)0.002 (2)0.002 (3)0.0023 (16)
C1730.091 (3)0.0270 (19)0.038 (2)0.015 (2)0.022 (2)0.0006 (16)
C1740.068 (3)0.0170 (15)0.0266 (17)0.0010 (16)0.0137 (17)0.0021 (13)
C1750.0344 (15)0.0246 (16)0.0137 (12)0.0121 (14)0.0004 (11)0.0028 (12)
C1760.0351 (17)0.0351 (18)0.0154 (14)0.0094 (14)0.0037 (12)0.0015 (13)
C1770.0383 (18)0.0376 (18)0.0202 (15)0.0051 (15)0.0000 (13)0.0003 (13)
C1780.0386 (18)0.0322 (18)0.0198 (15)0.0118 (14)0.0064 (13)0.0040 (13)
C1790.0510 (19)0.0249 (17)0.0105 (12)0.0118 (15)0.0027 (12)0.0007 (12)
C1800.0490 (19)0.0231 (15)0.0182 (14)0.0037 (14)0.0034 (13)0.0022 (12)
Geometric parameters (Å, º) top
Ag1—P12.4727 (8)Ag3—P52.4862 (8)
Ag1—P22.4877 (8)Ag3—P62.4869 (8)
Ag1—Cl12.5905 (8)Ag3—Cl32.5900 (8)
Ag1—S12.7192 (9)Ag3—S32.6816 (8)
N1—N21.359 (3)N11—C911.366 (4)
N1—C11.361 (4)N11—N121.384 (4)
N1—H1N0.875 (17)N11—H11N0.882 (17)
N2—C21.289 (4)N12—C921.296 (4)
N3—C11.328 (4)N13—C911.329 (4)
N3—C81.468 (4)N13—C981.463 (4)
N3—H3N0.871 (17)N13—H13N0.878 (17)
N4—C51.328 (4)N14—C941.338 (4)
N4—C41.345 (4)N14—C951.348 (4)
N5—C71.325 (4)N15—C971.335 (4)
N5—C61.339 (4)N15—C961.340 (4)
P1—C161.821 (3)P5—C1061.824 (3)
P1—C101.835 (3)P5—C1121.825 (3)
P1—C221.838 (3)P5—C1001.833 (3)
P2—C341.822 (3)P6—C1301.829 (3)
P2—C281.824 (3)P6—C1181.830 (3)
P2—C401.842 (3)P6—C1241.831 (3)
S1—C11.707 (3)S3—C911.700 (3)
C2—C41.483 (4)C92—C941.486 (4)
C2—C31.501 (5)C92—C931.493 (5)
C3—H3A0.9800C93—H93A0.9800
C3—H3B0.9800C93—H93B0.9800
C3—H3C0.9800C93—H93C0.9800
C4—C71.400 (4)C94—C971.406 (4)
C5—C61.391 (5)C95—C961.373 (5)
C5—H50.9500C95—H950.9500
C6—H60.9500C96—H960.9500
C7—H70.9500C97—H970.9500
C8—C91.494 (5)C98—C991.512 (5)
C8—H8A0.9900C98—H98A0.9900
C8—H8B0.9900C98—H98B0.9900
C9—H9A0.9800C99—H99A0.9800
C9—H9B0.9800C99—H99B0.9800
C9—H9C0.9800C99—H99C0.9800
C10—C151.389 (4)C100—C1051.392 (4)
C10—C111.398 (4)C100—C1011.405 (4)
C11—C121.399 (4)C101—C1021.391 (4)
C11—H110.9500C101—H1010.9500
C12—C131.377 (4)C102—C1031.388 (4)
C12—H120.9500C102—H1020.9500
C13—C141.386 (4)C103—C1041.387 (5)
C13—H130.9500C103—H1030.9500
C14—C151.393 (4)C104—C1051.392 (4)
C14—H140.9500C104—H1040.9500
C15—H150.9500C105—H1050.9500
C16—C211.389 (4)C106—C1071.393 (4)
C16—C171.394 (4)C106—C1111.403 (4)
C17—C181.389 (4)C107—C1081.392 (4)
C17—H170.9500C107—H1070.9500
C18—C191.393 (5)C108—C1091.383 (4)
C18—H180.9500C108—H1080.9500
C19—C201.373 (5)C109—C1101.401 (4)
C19—H190.9500C109—H1090.9500
C20—C211.396 (5)C110—C1111.392 (4)
C20—H200.9500C110—H1100.9500
C21—H210.9500C111—H1110.9500
C22—C271.390 (4)C112—C1171.392 (4)
C22—C231.396 (4)C112—C1131.395 (4)
C23—C241.400 (4)C113—C1141.401 (4)
C23—H230.9500C113—H1130.9500
C24—C251.379 (5)C114—C1151.379 (4)
C24—H240.9500C114—H1140.9500
C25—C261.377 (5)C115—C1161.377 (4)
C25—H250.9500C115—H1150.9500
C26—C271.396 (4)C116—C1171.392 (4)
C26—H260.9500C116—H1160.9500
C27—H270.9500C117—H1170.9500
C28—C291.399 (4)C118—C1231.391 (4)
C28—C331.404 (5)C118—C1191.395 (4)
C29—C301.394 (4)C119—C1201.398 (4)
C29—H290.9500C119—H1190.9500
C30—C311.381 (5)C120—C1211.392 (5)
C30—H300.9500C120—H1200.9500
C31—C321.384 (5)C121—C1221.390 (5)
C31—H310.9500C121—H1210.9500
C32—C331.393 (5)C122—C1231.397 (4)
C32—H320.9500C122—H1220.9500
C33—H330.9500C123—H1230.9500
C34—C351.385 (4)C124—C1251.383 (4)
C34—C391.409 (4)C124—C1291.388 (4)
C35—C361.393 (5)C125—C1261.388 (3)
C35—H350.9500C125—H1250.9500
C36—C371.371 (4)C126—C1271.382 (4)
C36—H360.9500C126—H1260.9500
C37—C381.387 (5)C127—C1281.379 (4)
C37—H370.9500C127—H1270.9500
C38—C391.386 (4)C128—C1291.395 (4)
C38—H380.9500C128—H1280.9500
C39—H390.9500C129—H1290.9500
C40—C411.383 (5)C130—C1311.385 (4)
C40—C451.395 (5)C130—C1351.400 (4)
C41—C421.404 (5)C131—C1321.392 (5)
C41—H410.9500C131—H1310.9500
C42—C431.363 (6)C132—C1331.383 (5)
C42—H420.9500C132—H1320.9500
C43—C441.398 (6)C133—C1341.373 (5)
C43—H430.9500C133—H1330.9500
C44—C451.396 (5)C134—C1351.391 (4)
C44—H440.9500C134—H1340.9500
C45—H450.9500C135—H1350.9500
Ag2—P32.4858 (8)Ag4—P72.4784 (8)
Ag2—P42.4861 (8)Ag4—P82.4838 (8)
Ag2—Cl22.5932 (8)Ag4—Cl42.5901 (8)
Ag2—S22.6848 (8)Ag4—S42.7412 (9)
N6—N71.362 (3)N16—C1361.364 (4)
N6—C461.363 (4)N16—N171.387 (3)
N6—H6N0.877 (17)N16—H16N0.860 (17)
N7—C471.287 (4)N17—C1371.300 (4)
N8—C461.330 (4)N18—C1361.325 (4)
N8—C531.465 (4)N18—C1431.456 (4)
N8—H8N0.861 (17)N18—H18N0.860 (17)
N9—C501.337 (4)N19—C1391.339 (4)
N9—C491.347 (4)N19—C1401.343 (4)
N10—C521.328 (4)N20—C1421.336 (4)
N10—C511.343 (4)N20—C1411.344 (4)
P3—C611.833 (3)P7—C1451.823 (3)
P3—C551.834 (3)P7—C1571.826 (3)
P3—C671.838 (3)P7—C1511.832 (3)
P4—C851.822 (3)P8—C1631.825 (3)
P4—C731.824 (3)P8—C1691.825 (3)
P4—C791.835 (3)P8—C1751.840 (3)
S2—C461.703 (3)S4—C1361.705 (3)
C47—C491.482 (4)C137—C1391.482 (4)
C47—C481.503 (4)C137—C1381.494 (4)
C48—H48A0.9800C138—H13A0.9800
C48—H48B0.9800C138—H13B0.9800
C48—H48C0.9800C138—H13C0.9800
C49—C521.404 (4)C139—C1421.410 (5)
C50—C511.386 (5)C140—C1411.367 (5)
C50—H500.9500C140—H1400.9500
C51—H510.9500C141—H1410.9500
C52—H520.9500C142—H1420.9500
C53—C541.494 (4)C143—C1441.524 (6)
C53—H53A0.9900C143—H14A0.9900
C53—H53B0.9900C143—H14B0.9900
C54—H54A0.9800C144—H14C0.9800
C54—H54B0.9800C144—H14D0.9800
C54—H54C0.9800C144—H14E0.9800
C55—C561.383 (4)C145—C1461.393 (4)
C55—C601.396 (4)C145—C1501.403 (5)
C56—C571.382 (4)C146—C1471.395 (4)
C56—H560.9500C146—H1460.9500
C57—C581.375 (4)C147—C1481.385 (5)
C57—H570.9500C147—H1470.9500
C58—C591.398 (4)C148—C1491.392 (5)
C58—H580.9500C148—H1480.9500
C59—C601.389 (4)C149—C1501.389 (5)
C59—H590.9500C149—H1490.9500
C60—H600.9500C150—H1500.9500
C61—C661.389 (4)C151—C1521.396 (4)
C61—C621.397 (4)C151—C1561.398 (4)
C62—C631.397 (4)C152—C1531.397 (4)
C62—H620.9500C152—H1520.9500
C63—C641.396 (4)C153—C1541.380 (5)
C63—H630.9500C153—H1530.9500
C64—C651.371 (4)C154—C1551.391 (5)
C64—H640.9500C154—H1540.9500
C65—C661.393 (4)C155—C1561.394 (4)
C65—H650.9500C155—H1550.9500
C66—H660.9500C156—H1560.9500
C67—C721.387 (4)C157—C1621.393 (4)
C67—C681.393 (4)C157—C1581.404 (4)
C68—C691.399 (4)C158—C1591.397 (4)
C68—H680.9500C158—H1580.9500
C69—C701.389 (4)C159—C1601.391 (4)
C69—H690.9500C159—H1590.9500
C70—C711.380 (5)C160—C1611.381 (4)
C70—H700.9500C160—H1600.9500
C71—C721.393 (4)C161—C1621.397 (4)
C71—H710.9500C161—H1610.9500
C72—H720.9500C162—H1620.9500
C73—C741.401 (4)C163—C1641.393 (4)
C73—C781.401 (4)C163—C1681.394 (4)
C74—C751.392 (4)C164—C1651.392 (5)
C74—H740.9500C164—H1640.9500
C75—C761.384 (5)C165—C1661.387 (5)
C75—H750.9500C165—H1650.9500
C76—C771.385 (5)C166—C1671.386 (5)
C76—H760.9500C166—H1660.9500
C77—C781.392 (4)C167—C1681.395 (4)
C77—H770.9500C167—H1670.9500
C78—H780.9500C168—H1680.9500
C79—C801.391 (4)C169—C1741.392 (5)
C79—C841.399 (4)C169—C1701.407 (5)
C80—C811.405 (5)C170—C1711.407 (5)
C80—H800.9500C170—H1700.9500
C81—C821.374 (5)C171—C1721.396 (7)
C81—H810.9500C171—H1710.9500
C82—C831.386 (5)C172—C1731.369 (7)
C82—H820.9500C172—H1720.9500
C83—C841.388 (4)C173—C1741.405 (5)
C83—H830.9500C173—H1730.9500
C84—H840.9500C174—H1740.9500
C85—C901.397 (4)C175—C1761.380 (5)
C85—C861.400 (4)C175—C1801.401 (4)
C86—C871.391 (4)C176—C1771.409 (5)
C86—H860.9500C176—H1760.9500
C87—C881.373 (5)C177—C1781.378 (5)
C87—H870.9500C177—H1770.9500
C88—C891.379 (5)C178—C1791.369 (5)
C88—H880.9500C178—H1780.9500
C89—C901.391 (4)C179—C1801.394 (4)
C89—H890.9500C179—H1790.9500
C90—H900.9500C180—H1800.9500
P1—Ag1—P2115.46 (3)P5—Ag3—P6118.91 (3)
P1—Ag1—Cl1119.77 (3)P5—Ag3—Cl3119.36 (3)
P2—Ag1—Cl1116.02 (3)P6—Ag3—Cl3112.62 (2)
P1—Ag1—S199.69 (3)P5—Ag3—S397.41 (2)
P2—Ag1—S1112.46 (3)P6—Ag3—S3112.54 (3)
Cl1—Ag1—S187.76 (3)Cl3—Ag3—S390.32 (3)
N2—N1—C1119.0 (3)C91—N11—N12117.6 (3)
N2—N1—H1N121 (2)C91—N11—H11N118 (2)
C1—N1—H1N114 (2)N12—N11—H11N125 (2)
C2—N2—N1117.7 (3)C92—N12—N11116.9 (3)
C1—N3—C8123.4 (3)C91—N13—C98123.1 (3)
C1—N3—H3N117 (2)C91—N13—H13N122 (2)
C8—N3—H3N119 (2)C98—N13—H13N115 (2)
C5—N4—C4116.6 (3)C94—N14—C95116.0 (3)
C7—N5—C6116.3 (3)C97—N15—C96116.0 (3)
C16—P1—C10102.86 (13)C106—P5—C112103.53 (14)
C16—P1—C22104.30 (13)C106—P5—C100101.08 (13)
C10—P1—C22103.17 (14)C112—P5—C100106.26 (13)
C16—P1—Ag1113.27 (10)C106—P5—Ag3119.87 (9)
C10—P1—Ag1121.53 (10)C112—P5—Ag3106.84 (10)
C22—P1—Ag1110.00 (10)C100—P5—Ag3117.75 (10)
C34—P2—C28106.60 (14)C130—P6—C118103.54 (14)
C34—P2—C40103.49 (15)C130—P6—C124102.20 (14)
C28—P2—C40102.28 (15)C118—P6—C124103.33 (13)
C34—P2—Ag1112.92 (10)C130—P6—Ag3113.15 (9)
C28—P2—Ag1116.85 (11)C118—P6—Ag3117.96 (10)
C40—P2—Ag1113.34 (10)C124—P6—Ag3114.79 (9)
C1—S1—Ag199.81 (10)C91—S3—Ag3102.46 (10)
N3—C1—N1117.3 (3)N13—C91—N11117.4 (3)
N3—C1—S1123.6 (2)N13—C91—S3123.3 (2)
N1—C1—S1119.2 (2)N11—C91—S3119.3 (2)
N2—C2—C4115.1 (3)N12—C92—C94114.3 (3)
N2—C2—C3124.3 (3)N12—C92—C93125.3 (3)
C4—C2—C3120.6 (3)C94—C92—C93120.4 (3)
C2—C3—H3A109.5C92—C93—H93A109.5
C2—C3—H3B109.5C92—C93—H93B109.5
H3A—C3—H3B109.5H93A—C93—H93B109.5
C2—C3—H3C109.5C92—C93—H93C109.5
H3A—C3—H3C109.5H93A—C93—H93C109.5
H3B—C3—H3C109.5H93B—C93—H93C109.5
N4—C4—C7120.2 (3)N14—C94—C97121.0 (3)
N4—C4—C2118.3 (3)N14—C94—C92117.8 (3)
C7—C4—C2121.5 (3)C97—C94—C92121.3 (3)
N4—C5—C6122.7 (3)N14—C95—C96122.5 (3)
N4—C5—H5118.7N14—C95—H95118.7
C6—C5—H5118.7C96—C95—H95118.7
N5—C6—C5121.0 (3)N15—C96—C95122.0 (3)
N5—C6—H6119.5N15—C96—H96119.0
C5—C6—H6119.5C95—C96—H96119.0
N5—C7—C4123.0 (3)N15—C97—C94122.3 (3)
N5—C7—H7118.5N15—C97—H97118.9
C4—C7—H7118.5C94—C97—H97118.9
N3—C8—C9113.0 (3)N13—C98—C99111.9 (3)
N3—C8—H8A109.0N13—C98—H98A109.2
C9—C8—H8A109.0C99—C98—H98A109.2
N3—C8—H8B109.0N13—C98—H98B109.2
C9—C8—H8B109.0C99—C98—H98B109.2
H8A—C8—H8B107.8H98A—C98—H98B107.9
C8—C9—H9A109.5C98—C99—H99A109.5
C8—C9—H9B109.5C98—C99—H99B109.5
H9A—C9—H9B109.5H99A—C99—H99B109.5
C8—C9—H9C109.5C98—C99—H99C109.5
H9A—C9—H9C109.5H99A—C99—H99C109.5
H9B—C9—H9C109.5H99B—C99—H99C109.5
C15—C10—C11120.1 (3)C105—C100—C101119.1 (3)
C15—C10—P1121.5 (2)C105—C100—P5118.4 (2)
C11—C10—P1118.3 (2)C101—C100—P5122.4 (2)
C10—C11—C12119.5 (3)C102—C101—C100120.9 (3)
C10—C11—H11120.2C102—C101—H101119.5
C12—C11—H11120.2C100—C101—H101119.5
C13—C12—C11119.9 (3)C103—C102—C101119.4 (3)
C13—C12—H12120.0C103—C102—H102120.3
C11—C12—H12120.0C101—C102—H102120.3
C12—C13—C14120.7 (3)C104—C103—C102119.9 (3)
C12—C13—H13119.6C104—C103—H103120.1
C14—C13—H13119.6C102—C103—H103120.1
C13—C14—C15119.9 (3)C103—C104—C105121.1 (3)
C13—C14—H14120.1C103—C104—H104119.4
C15—C14—H14120.1C105—C104—H104119.4
C10—C15—C14119.8 (3)C100—C105—C104119.5 (3)
C10—C15—H15120.1C100—C105—H105120.3
C14—C15—H15120.1C104—C105—H105120.3
C21—C16—C17118.9 (3)C107—C106—C111119.2 (3)
C21—C16—P1117.7 (2)C107—C106—P5117.8 (2)
C17—C16—P1123.4 (2)C111—C106—P5122.9 (2)
C18—C17—C16120.3 (3)C108—C107—C106120.5 (3)
C18—C17—H17119.9C108—C107—H107119.7
C16—C17—H17119.9C106—C107—H107119.7
C17—C18—C19120.1 (3)C109—C108—C107120.3 (3)
C17—C18—H18120.0C109—C108—H108119.8
C19—C18—H18120.0C107—C108—H108119.8
C20—C19—C18120.0 (3)C108—C109—C110119.6 (3)
C20—C19—H19120.0C108—C109—H109120.2
C18—C19—H19120.0C110—C109—H109120.2
C19—C20—C21119.9 (4)C111—C110—C109120.2 (3)
C19—C20—H20120.0C111—C110—H110119.9
C21—C20—H20120.0C109—C110—H110119.9
C16—C21—C20120.7 (3)C110—C111—C106120.0 (3)
C16—C21—H21119.6C110—C111—H111120.0
C20—C21—H21119.6C106—C111—H111120.0
C27—C22—C23118.8 (3)C117—C112—C113118.2 (3)
C27—C22—P1118.0 (2)C117—C112—P5116.6 (2)
C23—C22—P1123.1 (2)C113—C112—P5125.2 (2)
C22—C23—C24120.0 (3)C112—C113—C114120.5 (3)
C22—C23—H23120.0C112—C113—H113119.8
C24—C23—H23120.0C114—C113—H113119.8
C25—C24—C23120.6 (3)C115—C114—C113120.0 (3)
C25—C24—H24119.7C115—C114—H114120.0
C23—C24—H24119.7C113—C114—H114120.0
C26—C25—C24119.5 (3)C116—C115—C114120.3 (3)
C26—C25—H25120.2C116—C115—H115119.9
C24—C25—H25120.2C114—C115—H115119.9
C25—C26—C27120.5 (3)C115—C116—C117119.8 (3)
C25—C26—H26119.8C115—C116—H116120.1
C27—C26—H26119.8C117—C116—H116120.1
C22—C27—C26120.5 (3)C112—C117—C116121.2 (3)
C22—C27—H27119.8C112—C117—H117119.4
C26—C27—H27119.8C116—C117—H117119.4
C29—C28—C33118.7 (3)C123—C118—C119119.7 (3)
C29—C28—P2123.3 (3)C123—C118—P6122.5 (2)
C33—C28—P2118.0 (2)C119—C118—P6117.8 (2)
C30—C29—C28120.5 (3)C118—C119—C120119.9 (3)
C30—C29—H29119.8C118—C119—H119120.0
C28—C29—H29119.8C120—C119—H119120.0
C31—C30—C29120.1 (3)C121—C120—C119120.3 (3)
C31—C30—H30120.0C121—C120—H120119.9
C29—C30—H30120.0C119—C120—H120119.9
C30—C31—C32120.2 (3)C122—C121—C120119.7 (3)
C30—C31—H31119.9C122—C121—H121120.2
C32—C31—H31119.9C120—C121—H121120.2
C31—C32—C33120.3 (3)C121—C122—C123120.2 (3)
C31—C32—H32119.9C121—C122—H122119.9
C33—C32—H32119.9C123—C122—H122119.9
C32—C33—C28120.2 (3)C118—C123—C122120.2 (3)
C32—C33—H33119.9C118—C123—H123119.9
C28—C33—H33119.9C122—C123—H123119.9
C35—C34—C39117.6 (3)C125—C124—C129119.1 (3)
C35—C34—P2118.2 (2)C125—C124—P6122.7 (2)
C39—C34—P2124.2 (2)C129—C124—P6118.2 (2)
C34—C35—C36121.5 (3)C124—C125—C126120.4 (3)
C34—C35—H35119.3C124—C125—H125119.8
C36—C35—H35119.3C126—C125—H125119.8
C37—C36—C35120.1 (3)C127—C126—C125120.36 (16)
C37—C36—H36119.9C127—C126—H126119.8
C35—C36—H36119.9C125—C126—H126119.8
C36—C37—C38119.8 (3)C128—C127—C126119.70 (17)
C36—C37—H37120.1C128—C127—H127120.1
C38—C37—H37120.1C126—C127—H127120.1
C39—C38—C37120.2 (3)C127—C128—C129120.0 (3)
C39—C38—H38119.9C127—C128—H128120.0
C37—C38—H38119.9C129—C128—H128120.0
C38—C39—C34120.7 (3)C124—C129—C128120.4 (3)
C38—C39—H39119.6C124—C129—H129119.8
C34—C39—H39119.6C128—C129—H129119.8
C41—C40—C45119.1 (3)C131—C130—C135117.8 (3)
C41—C40—P2120.1 (3)C131—C130—P6124.1 (2)
C45—C40—P2120.5 (3)C135—C130—P6118.1 (2)
C40—C41—C42120.5 (4)C130—C131—C132121.2 (3)
C40—C41—H41119.7C130—C131—H131119.4
C42—C41—H41119.7C132—C131—H131119.4
C43—C42—C41120.5 (4)C133—C132—C131119.8 (3)
C43—C42—H42119.8C133—C132—H132120.1
C41—C42—H42119.8C131—C132—H132120.1
C42—C43—C44119.7 (4)C134—C133—C132120.2 (3)
C42—C43—H43120.2C134—C133—H133119.9
C44—C43—H43120.2C132—C133—H133119.9
C45—C44—C43120.1 (4)C133—C134—C135119.8 (3)
C45—C44—H44119.9C133—C134—H134120.1
C43—C44—H44119.9C135—C134—H134120.1
C40—C45—C44120.1 (4)C134—C135—C130121.2 (3)
C40—C45—H45120.0C134—C135—H135119.4
C44—C45—H45120.0C130—C135—H135119.4
P3—Ag2—P4119.09 (3)P7—Ag4—P8113.84 (3)
P3—Ag2—Cl2119.20 (3)P7—Ag4—Cl4118.99 (3)
P4—Ag2—Cl2112.70 (2)P8—Ag4—Cl4117.37 (3)
P3—Ag2—S296.42 (3)P7—Ag4—S4102.70 (2)
P4—Ag2—S2113.81 (3)P8—Ag4—S4111.64 (3)
Cl2—Ag2—S289.81 (3)Cl4—Ag4—S487.39 (2)
N7—N6—C46118.8 (3)C136—N16—N17116.9 (3)
N7—N6—H6N120 (2)C136—N16—H16N118 (2)
C46—N6—H6N115 (2)N17—N16—H16N125 (2)
C47—N7—N6118.0 (3)C137—N17—N16116.7 (3)
C46—N8—C53123.5 (3)C136—N18—C143124.1 (3)
C46—N8—H8N118 (2)C136—N18—H18N121 (2)
C53—N8—H8N119 (2)C143—N18—H18N114 (2)
C50—N9—C49116.2 (3)C139—N19—C140115.6 (3)
C52—N10—C51116.0 (3)C142—N20—C141115.0 (3)
C61—P3—C55103.27 (14)C145—P7—C157102.91 (14)
C61—P3—C67101.48 (13)C145—P7—C151104.25 (14)
C55—P3—C67106.38 (13)C157—P7—C151103.01 (14)
C61—P3—Ag2120.58 (9)C145—P7—Ag4112.01 (11)
C55—P3—Ag2107.03 (10)C157—P7—Ag4123.37 (10)
C67—P3—Ag2116.64 (10)C151—P7—Ag4109.43 (10)
C85—P4—C73103.60 (13)C163—P8—C169102.70 (15)
C85—P4—C79102.28 (14)C163—P8—C175106.46 (14)
C73—P4—C79103.66 (14)C169—P8—C175103.47 (16)
C85—P4—Ag2114.03 (9)C163—P8—Ag4117.03 (10)
C73—P4—Ag2118.23 (10)C169—P8—Ag4112.24 (10)
C79—P4—Ag2113.24 (10)C175—P8—Ag4113.55 (10)
C46—S2—Ag2102.38 (10)C136—S4—Ag498.98 (10)
N8—C46—N6117.1 (3)N18—C136—N16117.4 (3)
N8—C46—S2122.9 (2)N18—C136—S4124.0 (2)
N6—C46—S2120.0 (2)N16—C136—S4118.6 (2)
N7—C47—C49115.3 (3)N17—C137—C139114.1 (3)
N7—C47—C48124.5 (3)N17—C137—C138125.3 (3)
C49—C47—C48120.2 (3)C139—C137—C138120.5 (3)
C47—C48—H48A109.5C137—C138—H13A109.5
C47—C48—H48B109.5C137—C138—H13B109.5
H48A—C48—H48B109.5H13A—C138—H13B109.5
C47—C48—H48C109.5C137—C138—H13C109.5
H48A—C48—H48C109.5H13A—C138—H13C109.5
H48B—C48—H48C109.5H13B—C138—H13C109.5
N9—C49—C52120.5 (3)N19—C139—C142121.3 (3)
N9—C49—C47118.1 (3)N19—C139—C137117.8 (3)
C52—C49—C47121.3 (3)C142—C139—C137121.0 (3)
N9—C50—C51122.6 (3)N19—C140—C141122.6 (3)
N9—C50—H50118.7N19—C140—H140118.7
C51—C50—H50118.7C141—C140—H140118.7
N10—C51—C50121.6 (3)N20—C141—C140122.9 (3)
N10—C51—H51119.2N20—C141—H141118.6
C50—C51—H51119.2C140—C141—H141118.6
N10—C52—C49122.9 (3)N20—C142—C139122.3 (3)
N10—C52—H52118.6N20—C142—H142118.8
C49—C52—H52118.6C139—C142—H142118.8
N8—C53—C54113.4 (3)N18—C143—C144109.4 (3)
N8—C53—H53A108.9N18—C143—H14A109.8
C54—C53—H53A108.9C144—C143—H14A109.8
N8—C53—H53B108.9N18—C143—H14B109.8
C54—C53—H53B108.9C144—C143—H14B109.8
H53A—C53—H53B107.7H14A—C143—H14B108.2
C53—C54—H54A109.5C143—C144—H14C109.5
C53—C54—H54B109.5C143—C144—H14D109.5
H54A—C54—H54B109.5H14C—C144—H14D109.5
C53—C54—H54C109.5C143—C144—H14E109.5
H54A—C54—H54C109.5H14C—C144—H14E109.5
H54B—C54—H54C109.5H14D—C144—H14E109.5
C56—C55—C60118.8 (3)C146—C145—C150119.5 (3)
C56—C55—P3116.6 (2)C146—C145—P7123.5 (2)
C60—C55—P3124.6 (2)C150—C145—P7117.0 (2)
C57—C56—C55121.2 (3)C145—C146—C147120.3 (3)
C57—C56—H56119.4C145—C146—H146119.8
C55—C56—H56119.4C147—C146—H146119.8
C58—C57—C56120.3 (3)C148—C147—C146119.6 (3)
C58—C57—H57119.8C148—C147—H147120.2
C56—C57—H57119.8C146—C147—H147120.2
C57—C58—C59119.4 (3)C147—C148—C149120.7 (3)
C57—C58—H58120.3C147—C148—H148119.7
C59—C58—H58120.3C149—C148—H148119.7
C60—C59—C58120.2 (3)C150—C149—C148119.8 (4)
C60—C59—H59119.9C150—C149—H149120.1
C58—C59—H59119.9C148—C149—H149120.1
C59—C60—C55120.1 (3)C149—C150—C145120.0 (3)
C59—C60—H60119.9C149—C150—H150120.0
C55—C60—H60119.9C145—C150—H150120.0
C66—C61—C62119.4 (3)C152—C151—C156118.0 (3)
C66—C61—P3117.7 (2)C152—C151—P7118.3 (2)
C62—C61—P3122.9 (2)C156—C151—P7123.7 (2)
C61—C62—C63120.0 (3)C151—C152—C153120.9 (3)
C61—C62—H62120.0C151—C152—H152119.6
C63—C62—H62120.0C153—C152—H152119.6
C64—C63—C62119.9 (3)C154—C153—C152120.4 (3)
C64—C63—H63120.0C154—C153—H153119.8
C62—C63—H63120.0C152—C153—H153119.8
C65—C64—C63119.8 (3)C153—C154—C155119.5 (3)
C65—C64—H64120.1C153—C154—H154120.3
C63—C64—H64120.1C155—C154—H154120.3
C64—C65—C66120.8 (3)C154—C155—C156120.1 (3)
C64—C65—H65119.6C154—C155—H155120.0
C66—C65—H65119.6C156—C155—H155120.0
C61—C66—C65120.1 (3)C155—C156—C151121.1 (3)
C61—C66—H66119.9C155—C156—H156119.5
C65—C66—H66119.9C151—C156—H156119.5
C72—C67—C68119.4 (3)C162—C157—C158119.3 (3)
C72—C67—P3118.5 (2)C162—C157—P7119.1 (2)
C68—C67—P3122.1 (2)C158—C157—P7121.5 (2)
C67—C68—C69120.6 (3)C159—C158—C157120.0 (3)
C67—C68—H68119.7C159—C158—H158120.0
C69—C68—H68119.7C157—C158—H158120.0
C70—C69—C68119.3 (3)C160—C159—C158120.2 (3)
C70—C69—H69120.4C160—C159—H159119.9
C68—C69—H69120.4C158—C159—H159119.9
C71—C70—C69120.1 (3)C161—C160—C159119.8 (3)
C71—C70—H70119.9C161—C160—H160120.1
C69—C70—H70119.9C159—C160—H160120.1
C70—C71—C72120.7 (3)C160—C161—C162120.7 (3)
C70—C71—H71119.7C160—C161—H161119.6
C72—C71—H71119.7C162—C161—H161119.6
C67—C72—C71119.9 (3)C157—C162—C161119.9 (3)
C67—C72—H72120.1C157—C162—H162120.0
C71—C72—H72120.1C161—C162—H162120.0
C74—C73—C78119.0 (3)C164—C163—C168118.7 (3)
C74—C73—P4118.5 (2)C164—C163—P8117.9 (2)
C78—C73—P4122.5 (2)C168—C163—P8123.3 (2)
C75—C74—C73120.2 (3)C165—C164—C163121.2 (3)
C75—C74—H74119.9C165—C164—H164119.4
C73—C74—H74119.9C163—C164—H164119.4
C76—C75—C74120.1 (3)C166—C165—C164119.4 (3)
C76—C75—H75120.0C166—C165—H165120.3
C74—C75—H75120.0C164—C165—H165120.3
C75—C76—C77120.5 (3)C167—C166—C165120.1 (3)
C75—C76—H76119.7C167—C166—H166119.9
C77—C76—H76119.7C165—C166—H166119.9
C76—C77—C78119.8 (3)C166—C167—C168120.3 (3)
C76—C77—H77120.1C166—C167—H167119.8
C78—C77—H77120.1C168—C167—H167119.8
C77—C78—C73120.4 (3)C163—C168—C167120.2 (3)
C77—C78—H78119.8C163—C168—H168119.9
C73—C78—H78119.8C167—C168—H168119.9
C80—C79—C84119.1 (3)C174—C169—C170119.3 (3)
C80—C79—P4123.4 (2)C174—C169—P8120.7 (3)
C84—C79—P4117.5 (2)C170—C169—P8119.8 (3)
C79—C80—C81119.9 (3)C169—C170—C171119.6 (4)
C79—C80—H80120.0C169—C170—H170120.2
C81—C80—H80120.0C171—C170—H170120.2
C82—C81—C80120.4 (3)C172—C171—C170120.0 (4)
C82—C81—H81119.8C172—C171—H171120.0
C80—C81—H81119.8C170—C171—H171120.0
C81—C82—C83119.8 (3)C173—C172—C171120.2 (4)
C81—C82—H82120.1C173—C172—H172119.9
C83—C82—H82120.1C171—C172—H172119.9
C82—C83—C84120.4 (3)C172—C173—C174120.5 (5)
C82—C83—H83119.8C172—C173—H173119.7
C84—C83—H83119.8C174—C173—H173119.7
C83—C84—C79120.3 (3)C169—C174—C173120.3 (4)
C83—C84—H84119.8C169—C174—H174119.9
C79—C84—H84119.8C173—C174—H174119.9
C90—C85—C86118.4 (3)C176—C175—C180118.9 (3)
C90—C85—P4123.1 (2)C176—C175—P8117.6 (2)
C86—C85—P4118.5 (2)C180—C175—P8123.4 (3)
C87—C86—C85120.3 (3)C175—C176—C177120.9 (3)
C87—C86—H86119.8C175—C176—H176119.6
C85—C86—H86119.8C177—C176—H176119.6
C88—C87—C86120.4 (3)C178—C177—C176119.5 (3)
C88—C87—H87119.8C178—C177—H177120.2
C86—C87—H87119.8C176—C177—H177120.2
C87—C88—C89120.2 (3)C179—C178—C177119.8 (3)
C87—C88—H88119.9C179—C178—H178120.1
C89—C88—H88119.9C177—C178—H178120.1
C88—C89—C90120.1 (3)C178—C179—C180121.5 (3)
C88—C89—H89119.9C178—C179—H179119.3
C90—C89—H89119.9C180—C179—H179119.3
C89—C90—C85120.5 (3)C179—C180—C175119.4 (3)
C89—C90—H90119.7C179—C180—H180120.3
C85—C90—H90119.7C175—C180—H180120.3
C1—N1—N2—C2175.1 (3)C91—N11—N12—C92175.4 (3)
P2—Ag1—P1—C16171.02 (11)P6—Ag3—P5—C10645.33 (12)
Cl1—Ag1—P1—C1642.66 (11)Cl3—Ag3—P5—C10699.22 (12)
S1—Ag1—P1—C1650.32 (11)S3—Ag3—P5—C106166.21 (12)
P2—Ag1—P1—C1065.75 (12)P6—Ag3—P5—C11271.79 (10)
Cl1—Ag1—P1—C1080.56 (12)Cl3—Ag3—P5—C112143.66 (10)
S1—Ag1—P1—C10173.54 (12)S3—Ag3—P5—C11249.10 (10)
P2—Ag1—P1—C2254.75 (11)P6—Ag3—P5—C100168.89 (10)
Cl1—Ag1—P1—C22158.94 (10)Cl3—Ag3—P5—C10024.33 (11)
S1—Ag1—P1—C2265.95 (11)S3—Ag3—P5—C10070.23 (11)
P1—Ag1—P2—C3472.92 (12)P5—Ag3—P6—C13045.98 (11)
Cl1—Ag1—P2—C34139.47 (12)Cl3—Ag3—P6—C130100.82 (11)
S1—Ag1—P2—C3440.56 (12)S3—Ag3—P6—C130158.84 (10)
P1—Ag1—P2—C28162.91 (12)P5—Ag3—P6—C118167.00 (12)
Cl1—Ag1—P2—C2815.31 (13)Cl3—Ag3—P6—C11820.20 (12)
S1—Ag1—P2—C2883.61 (12)S3—Ag3—P6—C11880.13 (12)
P1—Ag1—P2—C4044.35 (12)P5—Ag3—P6—C12470.80 (12)
Cl1—Ag1—P2—C40103.25 (12)Cl3—Ag3—P6—C124142.39 (11)
S1—Ag1—P2—C40157.84 (12)S3—Ag3—P6—C12442.06 (12)
P1—Ag1—S1—C1162.42 (11)P5—Ag3—S3—C91167.61 (11)
P2—Ag1—S1—C139.57 (11)P6—Ag3—S3—C9142.04 (12)
Cl1—Ag1—S1—C177.75 (11)Cl3—Ag3—S3—C9172.71 (11)
C8—N3—C1—N1177.1 (3)C98—N13—C91—N11179.3 (3)
C8—N3—C1—S13.0 (4)C98—N13—C91—S30.4 (4)
N2—N1—C1—N37.9 (4)N12—N11—C91—N139.7 (4)
N2—N1—C1—S1172.1 (2)N12—N11—C91—S3170.0 (2)
Ag1—S1—C1—N3130.6 (3)Ag3—S3—C91—N13135.6 (2)
Ag1—S1—C1—N149.3 (3)Ag3—S3—C91—N1144.0 (3)
N1—N2—C2—C4178.4 (3)N11—N12—C92—C94177.2 (3)
N1—N2—C2—C32.9 (5)N11—N12—C92—C932.0 (5)
C5—N4—C4—C74.2 (5)C95—N14—C94—C973.8 (5)
C5—N4—C4—C2174.9 (3)C95—N14—C94—C92177.1 (3)
N2—C2—C4—N4166.8 (3)N12—C92—C94—N14168.3 (3)
C3—C2—C4—N414.5 (5)C93—C92—C94—N1411.0 (4)
N2—C2—C4—C712.3 (5)N12—C92—C94—C9712.6 (4)
C3—C2—C4—C7166.4 (3)C93—C92—C94—C97168.2 (3)
C4—N4—C5—C60.7 (6)C94—N14—C95—C960.1 (5)
C7—N5—C6—C53.1 (5)C97—N15—C96—C951.9 (5)
N4—C5—C6—N53.1 (6)N14—C95—C96—N152.9 (6)
C6—N5—C7—C40.5 (5)C96—N15—C97—C941.8 (5)
N4—C4—C7—N54.3 (5)N14—C94—C97—N154.9 (5)
C2—C4—C7—N5174.8 (3)C92—C94—C97—N15176.1 (3)
C1—N3—C8—C977.7 (4)C91—N13—C98—C9979.4 (4)
C16—P1—C10—C1532.8 (3)C106—P5—C100—C105136.8 (3)
C22—P1—C10—C1575.4 (3)C112—P5—C100—C105115.4 (3)
Ag1—P1—C10—C15160.8 (2)Ag3—P5—C100—C1054.2 (3)
C16—P1—C10—C11149.4 (2)C106—P5—C100—C10140.5 (3)
C22—P1—C10—C11102.3 (2)C112—P5—C100—C10167.3 (3)
Ag1—P1—C10—C1121.5 (3)Ag3—P5—C100—C101173.0 (2)
C15—C10—C11—C122.0 (4)C105—C100—C101—C1022.5 (4)
P1—C10—C11—C12175.7 (2)P5—C100—C101—C102179.7 (2)
C10—C11—C12—C130.3 (4)C100—C101—C102—C1030.8 (4)
C11—C12—C13—C142.1 (4)C101—C102—C103—C1041.8 (5)
C12—C13—C14—C151.5 (5)C102—C103—C104—C1052.6 (5)
C11—C10—C15—C142.6 (4)C101—C100—C105—C1041.7 (5)
P1—C10—C15—C14175.1 (2)P5—C100—C105—C104179.0 (3)
C13—C14—C15—C100.9 (4)C103—C104—C105—C1000.8 (6)
C10—P1—C16—C2184.9 (3)C112—P5—C106—C107179.9 (2)
C22—P1—C16—C21167.7 (3)C100—P5—C106—C10770.2 (2)
Ag1—P1—C16—C2148.1 (3)Ag3—P5—C106—C10761.1 (3)
C10—P1—C16—C1796.7 (3)C112—P5—C106—C1110.0 (3)
C22—P1—C16—C1710.8 (3)C100—P5—C106—C111109.9 (2)
Ag1—P1—C16—C17130.3 (2)Ag3—P5—C106—C111118.8 (2)
C21—C16—C17—C181.5 (5)C111—C106—C107—C1080.2 (4)
P1—C16—C17—C18180.0 (2)P5—C106—C107—C108180.0 (2)
C16—C17—C18—C191.1 (5)C106—C107—C108—C1091.3 (4)
C17—C18—C19—C201.7 (5)C107—C108—C109—C1102.0 (4)
C18—C19—C20—C210.4 (6)C108—C109—C110—C1111.3 (4)
C17—C16—C21—C203.6 (5)C109—C110—C111—C1060.1 (4)
P1—C16—C21—C20177.9 (3)C107—C106—C111—C1100.9 (4)
C19—C20—C21—C163.0 (6)P5—C106—C111—C110179.3 (2)
C16—P1—C22—C2774.5 (3)C106—P5—C112—C11792.7 (2)
C10—P1—C22—C27178.3 (2)C100—P5—C112—C117161.3 (2)
Ag1—P1—C22—C2747.3 (3)Ag3—P5—C112—C11734.8 (2)
C16—P1—C22—C23108.1 (3)C106—P5—C112—C11387.2 (3)
C10—P1—C22—C230.9 (3)C100—P5—C112—C11318.8 (3)
Ag1—P1—C22—C23130.1 (2)Ag3—P5—C112—C113145.4 (2)
C27—C22—C23—C242.0 (5)C117—C112—C113—C1140.9 (4)
P1—C22—C23—C24179.4 (3)P5—C112—C113—C114179.0 (2)
C22—C23—C24—C250.5 (5)C112—C113—C114—C1150.1 (5)
C23—C24—C25—C260.2 (5)C113—C114—C115—C1160.9 (5)
C24—C25—C26—C270.6 (5)C114—C115—C116—C1170.7 (5)
C23—C22—C27—C262.8 (5)C113—C112—C117—C1161.1 (5)
P1—C22—C27—C26179.6 (2)P5—C112—C117—C116178.8 (3)
C25—C26—C27—C222.2 (5)C115—C116—C117—C1120.3 (5)
C34—P2—C28—C2917.2 (3)C130—P6—C118—C123101.4 (3)
C40—P2—C28—C2991.1 (3)C124—P6—C118—C1234.9 (3)
Ag1—P2—C28—C29144.6 (2)Ag3—P6—C118—C123132.8 (2)
C34—P2—C28—C33162.8 (3)C130—P6—C118—C11978.0 (3)
C40—P2—C28—C3388.9 (3)C124—P6—C118—C119175.7 (2)
Ag1—P2—C28—C3335.4 (3)Ag3—P6—C118—C11947.9 (3)
C33—C28—C29—C300.9 (5)C123—C118—C119—C1202.3 (5)
P2—C28—C29—C30179.1 (3)P6—C118—C119—C120177.1 (3)
C28—C29—C30—C311.4 (5)C118—C119—C120—C1210.5 (5)
C29—C30—C31—C321.9 (5)C119—C120—C121—C1221.5 (5)
C30—C31—C32—C330.2 (6)C120—C121—C122—C1231.8 (5)
C31—C32—C33—C282.1 (5)C119—C118—C123—C1222.0 (5)
C29—C28—C33—C322.6 (5)P6—C118—C123—C122177.3 (3)
P2—C28—C33—C32177.4 (3)C121—C122—C123—C1180.0 (5)
C28—P2—C34—C35112.0 (3)C130—P6—C124—C12520.6 (3)
C40—P2—C34—C35140.5 (3)C118—P6—C124—C12586.7 (3)
Ag1—P2—C34—C3517.6 (3)Ag3—P6—C124—C125143.5 (2)
C28—P2—C34—C3969.6 (3)C130—P6—C124—C129160.0 (2)
C40—P2—C34—C3937.9 (3)C118—P6—C124—C12992.7 (2)
Ag1—P2—C34—C39160.8 (2)Ag3—P6—C124—C12937.1 (3)
C39—C34—C35—C361.3 (5)C129—C124—C125—C1260.2 (4)
P2—C34—C35—C36177.2 (3)P6—C124—C125—C126179.2 (2)
C34—C35—C36—C370.9 (6)C124—C125—C126—C1270.8 (3)
C35—C36—C37—C380.4 (5)C125—C126—C127—C1281.1 (2)
C36—C37—C38—C390.4 (5)C126—C127—C128—C1290.4 (4)
C37—C38—C39—C340.8 (5)C125—C124—C129—C1281.0 (4)
C35—C34—C39—C381.2 (5)P6—C124—C129—C128178.5 (2)
P2—C34—C39—C38177.2 (2)C127—C128—C129—C1240.6 (5)
C34—P2—C40—C41150.4 (3)C118—P6—C130—C1312.2 (3)
C28—P2—C40—C4139.8 (3)C124—P6—C130—C131109.4 (3)
Ag1—P2—C40—C4186.9 (3)Ag3—P6—C130—C131126.6 (2)
C34—P2—C40—C4535.7 (3)C118—P6—C130—C135178.9 (2)
C28—P2—C40—C45146.3 (3)C124—P6—C130—C13571.8 (2)
Ag1—P2—C40—C4587.0 (3)Ag3—P6—C130—C13552.2 (2)
C45—C40—C41—C420.6 (5)C135—C130—C131—C1320.7 (5)
P2—C40—C41—C42173.4 (3)P6—C130—C131—C132179.6 (3)
C40—C41—C42—C431.6 (6)C130—C131—C132—C1330.1 (5)
C41—C42—C43—C440.9 (6)C131—C132—C133—C1340.8 (5)
C42—C43—C44—C450.9 (6)C132—C133—C134—C1350.6 (5)
C41—C40—C45—C441.2 (5)C133—C134—C135—C1300.3 (5)
P2—C40—C45—C44175.2 (3)C131—C130—C135—C1340.9 (4)
C43—C44—C45—C402.0 (6)P6—C130—C135—C134179.8 (2)
C46—N6—N7—C47176.4 (3)C136—N16—N17—C137171.8 (3)
P4—Ag2—P3—C6145.67 (12)P8—Ag4—P7—C145170.74 (11)
Cl2—Ag2—P3—C6199.11 (12)Cl4—Ag4—P7—C14544.22 (11)
S2—Ag2—P3—C61167.51 (12)S4—Ag4—P7—C14549.88 (11)
P4—Ag2—P3—C5571.71 (10)P8—Ag4—P7—C15765.57 (13)
Cl2—Ag2—P3—C55143.51 (10)Cl4—Ag4—P7—C15779.47 (13)
S2—Ag2—P3—C5550.13 (10)S4—Ag4—P7—C157173.58 (12)
P4—Ag2—P3—C67169.38 (11)P8—Ag4—P7—C15155.65 (11)
Cl2—Ag2—P3—C6724.60 (12)Cl4—Ag4—P7—C151159.31 (10)
S2—Ag2—P3—C6768.79 (11)S4—Ag4—P7—C15165.21 (11)
P3—Ag2—P4—C8571.76 (12)P7—Ag4—P8—C163159.19 (12)
Cl2—Ag2—P4—C85141.31 (12)Cl4—Ag4—P8—C16313.55 (12)
S2—Ag2—P4—C8540.90 (12)S4—Ag4—P8—C16385.09 (12)
P3—Ag2—P4—C73166.14 (12)P7—Ag4—P8—C16940.81 (13)
Cl2—Ag2—P4—C7319.21 (12)Cl4—Ag4—P8—C169104.82 (13)
S2—Ag2—P4—C7381.19 (12)S4—Ag4—P8—C169156.53 (13)
P3—Ag2—P4—C7944.65 (11)P7—Ag4—P8—C17576.10 (12)
Cl2—Ag2—P4—C79102.28 (10)Cl4—Ag4—P8—C175138.26 (12)
S2—Ag2—P4—C79157.32 (10)S4—Ag4—P8—C17539.62 (12)
P3—Ag2—S2—C46167.73 (11)P7—Ag4—S4—C136163.09 (11)
P4—Ag2—S2—C4641.97 (11)P8—Ag4—S4—C13640.74 (11)
Cl2—Ag2—S2—C4672.89 (11)Cl4—Ag4—S4—C13677.76 (11)
C53—N8—C46—N6179.8 (3)C143—N18—C136—N16172.0 (3)
C53—N8—C46—S20.9 (4)C143—N18—C136—S47.9 (5)
N7—N6—C46—N810.5 (4)N17—N16—C136—N187.2 (4)
N7—N6—C46—S2168.8 (2)N17—N16—C136—S4172.9 (2)
Ag2—S2—C46—N8136.1 (2)Ag4—S4—C136—N18133.4 (3)
Ag2—S2—C46—N643.2 (3)Ag4—S4—C136—N1646.7 (3)
N6—N7—C47—C49177.6 (3)N16—N17—C137—C139176.8 (3)
N6—N7—C47—C482.1 (5)N16—N17—C137—C1382.3 (5)
C50—N9—C49—C524.3 (5)C140—N19—C139—C1424.9 (5)
C50—N9—C49—C47173.5 (3)C140—N19—C139—C137174.4 (3)
N7—C47—C49—N9166.7 (3)N17—C137—C139—N19163.8 (3)
C48—C47—C49—N913.0 (4)C138—C137—C139—N1915.4 (4)
N7—C47—C49—C5211.2 (4)N17—C137—C139—C14215.5 (4)
C48—C47—C49—C52169.2 (3)C138—C137—C139—C142165.3 (3)
C49—N9—C50—C510.4 (5)C139—N19—C140—C1410.4 (6)
C52—N10—C51—C503.8 (5)C142—N20—C141—C1402.5 (6)
N9—C50—C51—N104.7 (6)N19—C140—C141—N203.5 (7)
C51—N10—C52—C491.0 (5)C141—N20—C142—C1392.1 (5)
N9—C49—C52—N105.3 (5)N19—C139—C142—N206.0 (5)
C47—C49—C52—N10172.5 (3)C137—C139—C142—N20173.3 (3)
C46—N8—C53—C5480.1 (4)C136—N18—C143—C14486.4 (4)
C61—P3—C55—C5693.1 (3)C157—P7—C145—C14690.1 (3)
C67—P3—C55—C56160.5 (2)C151—P7—C145—C14617.1 (3)
Ag2—P3—C55—C5635.1 (3)Ag4—P7—C145—C146135.4 (2)
C61—P3—C55—C6087.9 (3)C157—P7—C145—C15090.1 (3)
C67—P3—C55—C6018.5 (3)C151—P7—C145—C150162.6 (3)
Ag2—P3—C55—C60143.9 (2)Ag4—P7—C145—C15044.4 (3)
C60—C55—C56—C572.1 (5)C150—C145—C146—C1472.4 (5)
P3—C55—C56—C57178.8 (3)P7—C145—C146—C147177.8 (2)
C55—C56—C57—C580.8 (5)C145—C146—C147—C1480.1 (5)
C56—C57—C58—C590.8 (5)C146—C147—C148—C1491.5 (5)
C57—C58—C59—C601.1 (5)C147—C148—C149—C1500.4 (6)
C58—C59—C60—C550.2 (5)C148—C149—C150—C1452.2 (6)
C56—C55—C60—C591.8 (4)C146—C145—C150—C1493.6 (5)
P3—C55—C60—C59179.3 (2)P7—C145—C150—C149176.7 (3)
C55—P3—C61—C66179.7 (2)C145—P7—C151—C15278.6 (3)
C67—P3—C61—C6670.3 (2)C157—P7—C151—C152174.3 (2)
Ag2—P3—C61—C6660.4 (2)Ag4—P7—C151—C15241.4 (2)
C55—P3—C61—C621.2 (3)C145—P7—C151—C156103.5 (3)
C67—P3—C61—C62111.3 (2)C157—P7—C151—C1563.7 (3)
Ag2—P3—C61—C62118.0 (2)Ag4—P7—C151—C156136.6 (2)
C66—C61—C62—C631.6 (4)C156—C151—C152—C1531.5 (4)
P3—C61—C62—C63180.0 (2)P7—C151—C152—C153179.6 (2)
C61—C62—C63—C640.5 (4)C151—C152—C153—C1540.7 (5)
C62—C63—C64—C651.0 (4)C152—C153—C154—C1550.3 (5)
C63—C64—C65—C661.4 (4)C153—C154—C155—C1560.3 (5)
C62—C61—C66—C651.2 (4)C154—C155—C156—C1510.6 (5)
P3—C61—C66—C65179.7 (2)C152—C151—C156—C1551.5 (5)
C64—C65—C66—C610.3 (4)P7—C151—C156—C155179.5 (2)
C61—P3—C67—C72136.3 (3)C145—P7—C157—C162149.3 (2)
C55—P3—C67—C72116.0 (3)C151—P7—C157—C162102.5 (2)
Ag2—P3—C67—C723.3 (3)Ag4—P7—C157—C16221.6 (3)
C61—P3—C67—C6840.0 (3)C145—P7—C157—C15833.4 (3)
C55—P3—C67—C6867.6 (3)C151—P7—C157—C15874.8 (3)
Ag2—P3—C67—C68173.1 (2)Ag4—P7—C157—C158161.1 (2)
C72—C67—C68—C693.6 (4)C162—C157—C158—C1593.2 (4)
P3—C67—C68—C69179.9 (2)P7—C157—C158—C159174.2 (2)
C67—C68—C69—C701.6 (4)C157—C158—C159—C1601.3 (4)
C68—C69—C70—C710.8 (5)C158—C159—C160—C1611.2 (4)
C69—C70—C71—C721.2 (5)C159—C160—C161—C1621.8 (5)
C68—C67—C72—C713.1 (5)C158—C157—C162—C1612.6 (4)
P3—C67—C72—C71179.5 (3)P7—C157—C162—C161174.8 (2)
C70—C71—C72—C670.7 (5)C160—C161—C162—C1570.2 (4)
C85—P4—C73—C74174.1 (3)C169—P8—C163—C16488.6 (3)
C79—P4—C73—C7479.4 (3)C175—P8—C163—C164163.0 (3)
Ag2—P4—C73—C7446.8 (3)Ag4—P8—C163—C16434.8 (3)
C85—P4—C73—C786.1 (3)C169—P8—C163—C16890.5 (3)
C79—P4—C73—C78100.4 (3)C175—P8—C163—C16817.9 (3)
Ag2—P4—C73—C78133.4 (2)Ag4—P8—C163—C168146.1 (2)
C78—C73—C74—C753.1 (5)C168—C163—C164—C1651.8 (5)
P4—C73—C74—C75176.7 (3)P8—C163—C164—C165177.4 (3)
C73—C74—C75—C762.5 (5)C163—C164—C165—C1661.7 (5)
C74—C75—C76—C770.1 (5)C164—C165—C166—C1670.5 (5)
C75—C76—C77—C781.7 (5)C165—C166—C167—C1680.5 (5)
C76—C77—C78—C731.1 (5)C164—C163—C168—C1670.8 (5)
C74—C73—C78—C771.3 (5)P8—C163—C168—C167178.3 (3)
P4—C73—C78—C77178.5 (2)C166—C167—C168—C1630.3 (5)
C85—P4—C79—C80109.9 (3)C163—P8—C169—C17436.9 (3)
C73—P4—C79—C802.4 (3)C175—P8—C169—C174147.6 (3)
Ag2—P4—C79—C80127.0 (2)Ag4—P8—C169—C17489.6 (3)
C85—P4—C79—C8471.8 (2)C163—P8—C169—C170148.7 (3)
C73—P4—C79—C84179.3 (2)C175—P8—C169—C17038.0 (3)
Ag2—P4—C79—C8451.3 (2)Ag4—P8—C169—C17084.8 (3)
C84—C79—C80—C810.2 (4)C174—C169—C170—C1711.6 (5)
P4—C79—C80—C81178.5 (2)P8—C169—C170—C171176.2 (3)
C79—C80—C81—C821.2 (5)C169—C170—C171—C1722.4 (6)
C80—C81—C82—C831.6 (5)C170—C171—C172—C1732.2 (7)
C81—C82—C83—C840.5 (5)C171—C172—C173—C1741.1 (7)
C82—C83—C84—C791.0 (5)C170—C169—C174—C1730.6 (5)
C80—C79—C84—C831.3 (5)P8—C169—C174—C173175.1 (3)
P4—C79—C84—C83179.7 (3)C172—C173—C174—C1690.4 (6)
C73—P4—C85—C9084.4 (3)C163—P8—C175—C176109.5 (3)
C79—P4—C85—C9023.2 (3)C169—P8—C175—C176142.6 (3)
Ag2—P4—C85—C90145.8 (2)Ag4—P8—C175—C17620.7 (3)
C73—P4—C85—C8695.2 (2)C163—P8—C175—C18073.0 (3)
C79—P4—C85—C86157.3 (2)C169—P8—C175—C18034.9 (3)
Ag2—P4—C85—C8634.6 (3)Ag4—P8—C175—C180156.8 (2)
C90—C85—C86—C870.4 (4)C180—C175—C176—C1770.0 (5)
P4—C85—C86—C87179.9 (2)P8—C175—C176—C177177.6 (3)
C85—C86—C87—C880.6 (5)C175—C176—C177—C1781.2 (5)
C86—C87—C88—C890.6 (5)C176—C177—C178—C1791.9 (5)
C87—C88—C89—C900.4 (5)C177—C178—C179—C1801.4 (5)
C88—C89—C90—C850.2 (5)C178—C179—C180—C1750.1 (5)
C86—C85—C90—C890.2 (4)C176—C175—C180—C1790.6 (5)
P4—C85—C90—C89179.8 (2)P8—C175—C180—C179176.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···Cl10.88 (2)2.54 (2)3.381 (3)163 (3)
N3—H3N···Cl30.87 (2)2.68 (3)3.406 (3)142 (3)
N6—H6N···Cl20.88 (2)2.53 (2)3.370 (3)162 (3)
N8—H8N···Cl40.86 (2)2.68 (3)3.411 (3)143 (3)
N11—H11N···Cl30.88 (2)2.52 (2)3.363 (3)161 (3)
N13—H13N···Cl20.88 (2)2.65 (2)3.423 (3)147 (3)
N16—H16N···Cl40.86 (2)2.50 (2)3.338 (3)164 (3)
N18—H18N···Cl1i0.86 (2)2.70 (3)3.425 (3)143 (3)
Symmetry code: (i) x1, y, z1.

Experimental details

Crystal data
Chemical formula[Ag(C9H13N5S)Cl(C18H15P)2]
Mr891.17
Crystal system, space groupMonoclinic, P21
Temperature (K)90
a, b, c (Å)12.0640 (5), 31.810 (2), 21.9207 (15)
β (°) 98.029 (5)
V3)8329.7 (9)
Z8
Radiation typeMo Kα
µ (mm1)0.71
Crystal size (mm)0.27 × 0.22 × 0.20
Data collection
DiffractometerNonius KappaCCD
diffractometer with Oxford Cryostream system
Absorption correctionMulti-scan
(DENZO and SCALEPACK; Otwinowski & Minor, 1997)
Tmin, Tmax0.831, 0.870
No. of measured, independent and
observed [I > 2σ(I)] reflections
138032, 54942, 44399
Rint0.055
(sin θ/λ)max1)0.758
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.042, 0.103, 1.03
No. of reflections54942
No. of parameters2007
No. of restraints9
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)1.03, 0.85
Absolute structureFlack (1983), 25,519 Friedel pairs
Absolute structure parameter0.382 (11)

Computer programs: COLLECT (Nonius, 2000), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SIR97 (Altomare et al., 1999), SHELXH (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···Cl10.875 (17)2.54 (2)3.381 (3)163 (3)
N3—H3N···Cl30.871 (17)2.68 (3)3.406 (3)142 (3)
N6—H6N···Cl20.877 (17)2.53 (2)3.370 (3)162 (3)
N8—H8N···Cl40.861 (17)2.68 (3)3.411 (3)143 (3)
N11—H11N···Cl30.882 (17)2.52 (2)3.363 (3)161 (3)
N13—H13N···Cl20.878 (17)2.65 (2)3.423 (3)147 (3)
N16—H16N···Cl40.860 (17)2.502 (19)3.338 (3)164 (3)
N18—H18N···Cl1i0.860 (17)2.70 (3)3.425 (3)143 (3)
Symmetry code: (i) x1, y, z1.
 
Acknowledgements top

The National Science Foundation is acknowledged for a CAREER award (CHE–1056927) to MAH. Purchase of the diffractometer was made possible by grant No. LEQSF (1999–2000)–ENH–TR–13, administered by the Louisiana Board of Regents.